ethyl 1-[2-(2-cyclopentylcarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-cyclopentylcarbonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(cyclopentanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[2-[2-[cyclopentyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(cyclopentanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-[2-(cyclopentanecarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCC2C3=CC=CC=C3CCN2C(=O)C4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCC2C3=CC=CC=C3CCN2C(=O)C4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H40N2O3/c1-2-36-30(35)31(26-13-4-3-5-14-26)18-22-32(23-19-31)20-17-28-27-15-9-8-10-24(27)16-21-33(28)29(34)25-11-6-7-12-25/h3-5,8-10,13-15,25,28H,2,6-7,11-12,16-23H2,1H3