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

Systemtic Name: methyl 4-[[(3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-14-3-5-15(6-4-14)12-23-13-17(11-19(23)24)20(25)22-18-9-7-16(8-10-18)21(26)27-2/h3-10,17H,11-13H2,1-2H3,(H,22,25)/t17-/m0/s1