ethyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl-(3,4,5-triethoxyphenyl)carbonyl-amino]benzoate

Systemtic Name: ethyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl-(3,4,5-triethoxyphenyl)carbonyl-amino]benzoate Openeye Name: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-(3,4,5-triethoxybenzoyl)amino]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl-[oxo-(3,4,5-triethoxyphenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxopyrrolidin-1-yl)methyl-(3,4,5-triethoxybenzoyl)amino]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl-(3,4,5-triethoxybenzoyl)amino]benzoic acid ethyl ester Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CN2CCCC2=O)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CN2CCCC2=O)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H34N2O7/c1-5-33-22-16-20(17-23(34-6-2)25(22)35-7-3)26(31)29(18-28-15-9-10-24(28)30)21-13-11-19(12-14-21)27(32)36-8-4/h11-14,16-17H,5-10,15,18H2,1-4H3