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

Systemtic Name: (4-methoxycarbonylphenyl) (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl) (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18ClNO6/c1-26-17-8-5-14(21)10-16(17)22-11-13(9-18(22)23)20(25)28-15-6-3-12(4-7-15)19(24)27-2/h3-8,10,13H,9,11H2,1-2H3/t13-/m0/s1