ethyl (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3S)-1-(2,5-dimethoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]nipecotic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC(=O)N(C2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2CC(=O)N(C2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H28N2O6/c1-4-29-21(26)14-6-5-9-22(12-14)20(25)15-10-19(24)23(13-15)17-11-16(27-2)7-8-18(17)28-3/h7-8,11,14-15H,4-6,9-10,12-13H2,1-3H3/t14-,15-/m0/s1