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

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-[[1-(2-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=CC=CC=N3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CC=CC=N3)CCOC4=CC=CC=C4

InChI

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