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

Systemtic Name: ethyl 4-(phenylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CN2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c1-2-30-24(29)25(18-21-8-4-3-5-9-21)12-16-27(17-13-25)20-23-11-7-15-28(23)22-10-6-14-26-19-22/h3-11,14-15,19H,2,12-13,16-18,20H2,1H3