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

Systemtic Name: methyl 4-methyl-3-[[(3S)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[(3S)-5-oxo-1-phenethyl-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-[(3S)-5-oxo-1-phenethyl-3-pyrrolidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(3S)-5-oxo-1-phenethylpyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3S)-5-keto-1-phenethyl-pyrrolidine-3-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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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)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15-8-9-17(22(27)28-2)12-19(15)23-21(26)18-13-20(25)24(14-18)11-10-16-6-4-3-5-7-16/h3-9,12,18H,10-11,13-14H2,1-2H3,(H,23,26)/t18-/m0/s1