2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine

C213H212N10O35 — CID 167573316

About 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine

2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine (PubChem CID 167573316) has the molecular formula C213H212N10O35 and a molecular weight of 3472.07 g/mol. Its IUPAC name is 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

• Compound Name: 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine
• PubChem CID: 167573316
• Molecular Formula: C213H212N10O35
• Molecular Weight: 3472.07 g/mol
• Exact Mass: 3469.51
• IUPAC Name: 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine
• SMILES: C=C(C)C(=O)OCCNC(=O)OCC.C=CC(=O)OCCNC(=O)OCC.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CCOC1COc2ccccc2O1.COCCOCCCC(=O)OCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.Cc1ccc(CC(=O)OCC(C)OC(=O)Nc2ccc(C)c(NC(=O)OCCN3c4ccccc4C(C)(C)C34C=Cc3cc(C(=O)c5ccccc5)ccc3O4)c2)cc1CC(=O)OCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)c3ccccc3)ccc1O2
• InChI: InChI=1S/C77H72N4O12.C34H37NO6.3C25H21NO2.C10H12O3.C9H15NO4.C8H13NO4/c1-49-26-28-52(42-59(49)46-69(83)88-40-38-80-64-24-16-14-22-61(64)74(4,5)76(80)36-34-55-44-57(29-32-66(55)92-76)70(84)53-18-10-8-11-19-53)43-68(82)90-48-51(3)91-73(87)78-60-31-27-50(2)63(47-60)79-72(86)89-41-39-81-65-25-17-15-23-62(65)75(6,7)77(81)37-35-56-45-58(30-33-67(56)93-77)71(85)54-20-12-9-13-21-54;1-33(2)28-12-7-8-13-29(28)35(19-21-40-31(36)14-9-20-39-23-22-38-3)34(33)18-17-26-24-27(15-16-30(26)41-34)32(37)25-10-5-4-6-11-25;3*1-24(2)20-10-6-7-11-21(20)26-25(24)15-14-18-16-19(12-13-22(18)28-25)23(27)17-8-4-3-5-9-17;1-2-11-10-7-12-8-5-3-4-6-9(8)13-10;1-4-13-9(12)10-5-6-14-8(11)7(2)3;1-3-7(10)13-6-5-9-8(11)12-4-2/h8-37,42,44-45,47,51H,38-41,43,46,48H2,1-7H3,(H,78,87)(H,79,86);4-8,10-13,15-18,24H,9,14,19-23H2,1-3H3;3*3-16,26H,1-2H3;3-6,10H,2,7H2,1H3;2,4-6H2,1,3H3,(H,10,12);3H,1,4-6H2,2H3,(H,9,11)
• InChIKey: GETQVSGVHUXWCC-UHFFFAOYSA-N
• XLogP: 39.53
• TPSA: 534.58 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 49
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3472.07
LogP ≤ 5	39.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine?

The IUPAC name of 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine (CID 167573316) is 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine.

What is the SMILES notation for 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine?

The canonical SMILES for 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine is C=C(C)C(=O)OCCNC(=O)OCC.C=CC(=O)OCCNC(=O)OCC.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CC1(C)c2ccccc2NC12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.CCOC1COc2ccccc2O1.COCCOCCCC(=O)OCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.Cc1ccc(CC(=O)OCC(C)OC(=O)Nc2ccc(C)c(NC(=O)OCCN3c4ccccc4C(C)(C)C34C=Cc3cc(C(=O)c5ccccc5)ccc3O4)c2)cc1CC(=O)OCCN1c2ccccc2C(C)(C)C12C=Cc1cc(C(=O)c3ccccc3)ccc1O2.

What is the InChIKey of 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine?

The InChIKey is GETQVSGVHUXWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H72N4O12.C34H37NO6.3C25H21NO2.C10H12O3.C9H15NO4.C8H13NO4/c1-49-26-28-52(42-59(49)46-69(83)88-40-38-80-64-24-16-14-22-61(64)74(4,5)76(80)36-34-55-44-57(29-32-66(55)92-76)70(84)53-18-10-8-11-19-53)43-68(82)90-48-51(3)91-73(87)78-60-31-27-50(2)63(47-60)79-72(86)89-41-39-81-65-25-17-15-23-62(65)75(6,7)77(81)37-35-56-45-58(30-33-67(56)93-77)71(85)54-20-12-9-13-21-54;1-33(2)28-12-7-8-13-29(28)35(19-21-40-31(36)14-9-20-39-23-22-38-3)34(33)18-17-26-24-27(15-16-30(26)41-34)32(37)25-10-5-4-6-11-25;3*1-24(2)20-10-6-7-11-21(20)26-25(24)15-14-18-16-19(12-13-22(18)28-25)23(27)17-8-4-3-5-9-17;1-2-11-10-7-12-8-5-3-4-6-9(8)13-10;1-4-13-9(12)10-5-6-14-8(11)7(2)3;1-3-7(10)13-6-5-9-8(11)12-4-2/h8-37,42,44-45,47,51H,38-41,43,46,48H2,1-7H3,(H,78,87)(H,79,86);4-8,10-13,15-18,24H,9,14,19-23H2,1-3H3;3*3-16,26H,1-2H3;3-6,10H,2,7H2,1H3;2,4-6H2,1,3H3,(H,10,12);3H,1,4-6H2,2H3,(H,9,11).

What are the key properties of 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine?

2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine has a molecular weight of 3472.07 g/mol, XLogP of 39.53, 49 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxycarbonylamino]-4-methylphenyl]carbamoyloxy]propyl 2-[3-[2-[2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethoxy]-2-oxoethyl]-4-methylphenyl]acetate;2-(6-benzoyl-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl)ethyl 4-(2-methoxyethoxy)butanoate;tris((3,3-dimethylspiro[1H-indole-2,2'-chromene]-6'-yl)-phenylmethanone);2-(ethoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(ethoxycarbonylamino)ethyl prop-2-enoate;3-ethoxy-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 167573316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).