2-[[(3R)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]carbonylamino]ethyl 4-methylbenzoate

Systemtic Name: 2-[[(3R)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]carbonylamino]ethyl 4-methylbenzoate Openeye Name: 2-[[(3R)-5-oxo-1-phenyl-pyrrolidine-3-carbonyl]amino]ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[[oxo-[(3R)-5-oxo-1-phenyl-3-pyrrolidinyl]methyl]amino]ethyl ester IUPAC Name: 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[[(3R)-5-keto-1-phenyl-pyrrolidine-3-carbonyl]amino]ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15-7-9-16(10-8-15)21(26)27-12-11-22-20(25)17-13-19(24)23(14-17)18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3,(H,22,25)/t17-/m1/s1