ethyl (3S)-1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(C=C(N2)C)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(C=C(N2)C)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-4-28-22(27)23(12-14-29-19-9-6-5-7-10-19)11-8-13-25(16-23)21(26)20-17(2)15-18(3)24-20/h5-7,9-10,15,24H,4,8,11-14,16H2,1-3H3/t23-/m0/s1