butyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[(3R)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carbonyl]amino]benzoic acid butyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H28N2O4/c1-3-4-13-30-24(29)19-9-11-21(12-10-19)25-23(28)20-14-22(27)26(16-20)15-18-7-5-17(2)6-8-18/h5-12,20H,3-4,13-16H2,1-2H3,(H,25,28)/t20-/m1/s1