methyl 2-[[4-[(2-ethyl-4-methoxy-pyrrolidin-1-yl)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(2-ethyl-4-methoxy-pyrrolidin-1-yl)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(2-ethyl-4-methoxy-pyrrolidin-1-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(2-ethyl-4-methoxy-1-pyrrolidinyl)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-ethyl-4-methoxypyrrolidin-1-yl)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(2-ethyl-4-methoxy-pyrrolidino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN1CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3C)OC

Isomeric SMILES

CCC1CC(CN1CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3C)OC

InChI

InChI=1S/C28H38N2O4S/c1-6-21-16-22(33-3)18-30(21)17-20-11-12-24(25(15-20)23-10-8-7-9-19(23)2)27(31)29-26(13-14-35-5)28(32)34-4/h7-12,15,21-22,26H,6,13-14,16-18H2,1-5H3,(H,29,31)