phenacyl (3S)-1-[(2-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-[(2-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-[(2-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(2-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(o-toluoylamino)pyrrolidine-3-carboxylic acid phenacyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-14-7-5-6-10-17(14)20(26)22-23-12-16(11-19(23)25)21(27)28-13-18(24)15-8-3-2-4-9-15/h2-10,16H,11-13H2,1H3,(H,22,26)/t16-/m0/s1