[4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate

C210H196O41 — CID 162010272

About [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate

[4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate (PubChem CID 162010272) has the molecular formula C210H196O41 and a molecular weight of 3375.84 g/mol. Its IUPAC name is [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate.

Molecular Properties

• Compound Name: [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate
• PubChem CID: 162010272
• Molecular Formula: C210H196O41
• Molecular Weight: 3375.84 g/mol
• Exact Mass: 3373.33
• IUPAC Name: [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate
• SMILES: C=C(C)C(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(OCOC(=O)C=C)cc3)cc2)cc1.C=CC(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)CCc2ccc(-c3ccc(CC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)CCc2ccc(-c3ccc(OCC(=O)C(=C)C)cc3)cc2)cc1
• InChI: InChI=1S/C31H30O7.C31H30O5.2C30H28O6.C30H28O5.C29H26O7.C29H26O5/c1-21(2)29(32)19-35-26-12-10-25(11-13-26)24-8-5-23(6-9-24)7-18-30(33)38-28-16-14-27(15-17-28)36-20-37-31(34)22(3)4;1-21(2)29(32)19-24-7-14-27(15-8-24)26-12-5-23(6-13-26)11-18-30(33)36-28-16-9-25(10-17-28)20-35-31(34)22(3)4;1-4-29(32)35-19-23-7-14-27(15-8-23)36-30(33)18-9-22-5-10-24(11-6-22)25-12-16-26(17-13-25)34-20-28(31)21(2)3;1-4-26(31)20-34-27-16-12-25(13-17-27)24-10-5-22(6-11-24)9-18-29(32)36-28-14-7-23(8-15-28)19-35-30(33)21(2)3;1-4-29(32)34-20-24-9-16-27(17-10-24)35-30(33)18-11-22-5-12-25(13-6-22)26-14-7-23(8-15-26)19-28(31)21(2)3;1-3-24(30)19-33-25-12-10-23(11-13-25)22-8-5-21(6-9-22)7-18-29(32)36-27-16-14-26(15-17-27)34-20-35-28(31)4-2;1-3-26(30)19-22-7-14-25(15-8-22)24-12-5-21(6-13-24)11-18-29(32)34-27-16-9-23(10-17-27)20-33-28(31)4-2/h5-6,8-17H,1,3,7,18-20H2,2,4H3;5-10,12-17H,1,3,11,18-20H2,2,4H3;2*4-8,10-17H,1-2,9,18-20H2,3H3;4-10,12-17H,1-2,11,18-20H2,3H3;3-6,8-17H,1-2,7,18-20H2;3-10,12-17H,1-2,11,18-20H2
• InChIKey: YTJKNEGWFDWBPI-UHFFFAOYSA-N
• XLogP: 39.68
• TPSA: 543.07 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 83
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3375.84
LogP ≤ 5	39.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate?

The IUPAC name of [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate (CID 162010272) is [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate.

What is the SMILES notation for [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate?

The canonical SMILES for [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate is C=C(C)C(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(OCOC(=O)C(=C)C)cc3)cc2)cc1.C=C(C)C(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)COc1ccc(-c2ccc(CCC(=O)Oc3ccc(OCOC(=O)C=C)cc3)cc2)cc1.C=CC(=O)Cc1ccc(-c2ccc(CCC(=O)Oc3ccc(COC(=O)C=C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)CCc2ccc(-c3ccc(CC(=O)C(=C)C)cc3)cc2)cc1.C=CC(=O)OCc1ccc(OC(=O)CCc2ccc(-c3ccc(OCC(=O)C(=C)C)cc3)cc2)cc1.

What is the InChIKey of [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate?

The InChIKey is YTJKNEGWFDWBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O7.C31H30O5.2C30H28O6.C30H28O5.C29H26O7.C29H26O5/c1-21(2)29(32)19-35-26-12-10-25(11-13-26)24-8-5-23(6-9-24)7-18-30(33)38-28-16-14-27(15-17-28)36-20-37-31(34)22(3)4;1-21(2)29(32)19-24-7-14-27(15-8-24)26-12-5-23(6-13-26)11-18-30(33)36-28-16-9-25(10-17-28)20-35-31(34)22(3)4;1-4-29(32)35-19-23-7-14-27(15-8-23)36-30(33)18-9-22-5-10-24(11-6-22)25-12-16-26(17-13-25)34-20-28(31)21(2)3;1-4-26(31)20-34-27-16-12-25(13-17-27)24-10-5-22(6-11-24)9-18-29(32)36-28-14-7-23(8-15-28)19-35-30(33)21(2)3;1-4-29(32)34-20-24-9-16-27(17-10-24)35-30(33)18-11-22-5-12-25(13-6-22)26-14-7-23(8-15-26)19-28(31)21(2)3;1-3-24(30)19-33-25-12-10-23(11-13-25)22-8-5-21(6-9-22)7-18-29(32)36-27-16-14-26(15-17-27)34-20-35-28(31)4-2;1-3-26(30)19-22-7-14-25(15-8-22)24-12-5-21(6-13-24)11-18-29(32)34-27-16-9-23(10-17-27)20-33-28(31)4-2/h5-6,8-17H,1,3,7,18-20H2,2,4H3;5-10,12-17H,1,3,11,18-20H2,2,4H3;2*4-8,10-17H,1-2,9,18-20H2,3H3;4-10,12-17H,1-2,11,18-20H2,3H3;3-6,8-17H,1-2,7,18-20H2;3-10,12-17H,1-2,11,18-20H2.

What are the key properties of [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate?

[4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate has a molecular weight of 3375.84 g/mol, XLogP of 39.68, 83 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenoxy]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-[3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoyloxy]phenyl]methyl 2-methylprop-2-enoate;[4-(prop-2-enoyloxymethoxy)phenyl] 3-[4-[4-(2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]propanoate;[4-(prop-2-enoyloxymethyl)phenyl] 3-[4-[4-(2-oxobut-3-enyl)phenyl]phenyl]propanoate is sourced from PubChem (CID 162010272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).