(4-methoxycarbonylphenyl) (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18ClNO5/c1-12-16(21)4-3-5-17(12)22-11-14(10-18(22)23)20(25)27-15-8-6-13(7-9-15)19(24)26-2/h3-9,14H,10-11H2,1-2H3/t14-/m0/s1