[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] (3S)-5-oxo-1-phenethyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenethyl-3-pyrrolidinecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] (3S)-5-oxo-1-phenethylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenethyl-pyrrolidine-3-carboxylic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClNO5/c1-28-20-8-7-16(11-18(20)23)19(25)14-29-22(27)17-12-21(26)24(13-17)10-9-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3/t17-/m0/s1