ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-5-oxidanylidene-1-prop-2-enyl-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(3R)-1-allyl-5-oxo-pyrrolidine-3-carbonyl]-4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl]-1-[oxo-[(3R)-5-oxo-1-prop-2-enyl-3-pyrrolidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl]-1-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3R)-1-allyl-5-keto-pyrrolidine-3-carbonyl]-4-(4-chlorobenzyl)isonipecotic acid ethyl ester Formula: C23H29ClN2O4 MolecularWeight: 432.94036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CC(=O)N(C2)CC=C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)CC=C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O4/c1-3-11-26-16-18(14-20(26)27)21(28)25-12-9-23(10-13-25,22(29)30-4-2)15-17-5-7-19(24)8-6-17/h3,5-8,18H,1,4,9-16H2,2H3/t18-/m1/s1