[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H21ClN2O4/c1-13-17(22)5-3-6-18(13)23-20(26)14(2)28-21(27)15-8-10-16(11-9-15)24-12-4-7-19(24)25/h3,5-6,8-11,14H,4,7,12H2,1-2H3,(H,23,26)/t14-/m0/s1