[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C21H22N2O4/c1-14-8-10-17(11-9-14)22-20(25)15(2)27-21(26)16-5-3-6-18(13-16)23-12-4-7-19(23)24/h3,5-6,8-11,13,15H,4,7,12H2,1-2H3,(H,22,25)/t15-/m0/s1