[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)

C108H120Cl4N4O20 — CID 159877702

IUPAC[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)
SMILESCOc1ccccc1[C@@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/4C27H30ClNO5/c4*1-17-26(27(31)34-18(2)22-8-4-5-9-24(22)32-3)23(19-10-12-20(28)13-11-19)15-25(30)29(17)16-21-7-6-14-33-21/h4*4-5,8-13,18,21,23H,6-7,14-16H2,1-3H3/t2*18-,21+,23?;18-,21+,23-;18-,21-,23+/m0010/s1
InChIKeyNTCVGGXFOAUGNC-DFGBJNOXSA-N
MW1935.97 g/mol
LogP21.69
Rot. Bonds28

About [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)

[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) (PubChem CID 159877702) has the molecular formula C108H120Cl4N4O20 and a molecular weight of 1935.97 g/mol. Its IUPAC name is [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate).

Molecular Properties

Compound Name[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)
PubChem CID159877702
Molecular FormulaC108H120Cl4N4O20
Molecular Weight1935.97 g/mol
Exact Mass1932.73
IUPAC Name[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)
SMILESCOc1ccccc1[C@@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1
InChIInChI=1S/4C27H30ClNO5/c4*1-17-26(27(31)34-18(2)22-8-4-5-9-24(22)32-3)23(19-10-12-20(28)13-11-19)15-25(30)29(17)16-21-7-6-14-33-21/h4*4-5,8-13,18,21,23H,6-7,14-16H2,1-3H3/t2*18-,21+,23?;18-,21+,23-;18-,21-,23+/m0010/s1
InChIKeyNTCVGGXFOAUGNC-DFGBJNOXSA-N
XLogP21.69
TPSA260.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds28
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001935.97
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)?
The IUPAC name of [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) (CID 159877702) is [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate).
What is the SMILES notation for [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)?
The canonical SMILES for [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) is COc1ccccc1[C@@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)C[C@@H]1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1.COc1ccccc1[C@H](C)OC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)CC1c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)?
The InChIKey is NTCVGGXFOAUGNC-DFGBJNOXSA-N. The full InChI is InChI=1S/4C27H30ClNO5/c4*1-17-26(27(31)34-18(2)22-8-4-5-9-24(22)32-3)23(19-10-12-20(28)13-11-19)15-25(30)29(17)16-21-7-6-14-33-21/h4*4-5,8-13,18,21,23H,6-7,14-16H2,1-3H3/t2*18-,21+,23?;18-,21+,23-;18-,21-,23+/m0010/s1.
What are the key properties of [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate)?
[(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) has a molecular weight of 1935.97 g/mol, XLogP of 21.69, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;[(1S)-1-(2-methoxyphenyl)ethyl] (4R)-4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate;bis([(1S)-1-(2-methoxyphenyl)ethyl] 4-(4-chlorophenyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate) is sourced from PubChem (CID 159877702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).