ethanedioic acid; 2-[1-(4-phenylcyclohexyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[1-(4-phenylcyclohexyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-[1-(4-phenylcyclohexyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-[1-(4-phenylcyclohexyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-[1-(4-phenylcyclohexyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-[1-(4-phenylcyclohexyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCC(CC3)N4CCC5=CC=CC=C5C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCC(CC3)N4CCC5=CC=CC=C5C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H34N2.C2H2O4/c1-2-6-21(7-3-1)23-10-12-25(13-11-23)27-18-15-26(16-19-27)28-17-14-22-8-4-5-9-24(22)20-28;3-1(4)2(5)6/h1-9,23,25-26H,10-20H2;(H,3,4)(H,5,6)