methyl 3-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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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=C3Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O4/c1-13-7-8-14(21(27)28-2)9-18(13)23-20(26)16-10-19(25)24(12-16)11-15-5-3-4-6-17(15)22/h3-9,16H,10-12H2,1-2H3,(H,23,26)/t16-/m0/s1