[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N3CCCC3=O

InChI

InChI=1S/C21H21ClN2O4/c1-14-5-2-3-6-16(14)12-23-19(25)13-28-21(27)15-8-9-17(22)18(11-15)24-10-4-7-20(24)26/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,23,25)