ethyl 1-(isoquinolin-5-ylmethyl)-4-phenethyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-phenethyl-piperidine-4-carboxylate Openeye Name: ethyl 1-(5-isoquinolylmethyl)-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-(5-isoquinolinylmethyl)-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(isoquinolin-5-ylmethyl)-4-phenethylpiperidine-4-carboxylate Traditional Name: 1-(5-isoquinolylmethyl)-4-phenethyl-isonipecotic acid ethyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=CC3=C2C=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=CC3=C2C=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O2/c1-2-30-25(29)26(13-11-21-7-4-3-5-8-21)14-17-28(18-15-26)20-23-10-6-9-22-19-27-16-12-24(22)23/h3-10,12,16,19H,2,11,13-15,17-18,20H2,1H3