ethyl 1-[1-[(1-phenylindol-2-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-[(1-phenylindol-2-yl)methyl]piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(1-phenylindol-2-yl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-[(1-phenyl-2-indolyl)methyl]-3-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(1-phenylindol-2-yl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-[(1-phenylindol-2-yl)methyl]nipecotoyl]isonipecotic acid ethyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C29H35N3O3/c1-2-35-29(34)22-14-17-31(18-15-22)28(33)24-10-8-16-30(20-24)21-26-19-23-9-6-7-13-27(23)32(26)25-11-4-3-5-12-25/h3-7,9,11-13,19,22,24H,2,8,10,14-18,20-21H2,1H3