ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CN=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CN=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3/c1-2-31-25(30)26(14-19-32-24-10-4-3-5-11-24)12-17-28(18-13-26)21-23-9-7-16-29(23)22-8-6-15-27-20-22/h3-11,15-16,20H,2,12-14,17-19,21H2,1H3