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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

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