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

Systemtic Name: ethanedioic acid; 2-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-[1-[(3-phenoxyphenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-[1-[(3-phenoxyphenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-[1-(3-phenoxybenzyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C29H32N2O5 MolecularWeight: 488.57478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2)CC4=CC(=CC=C4)OC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O.C2H2O4/c1-2-10-26(11-3-1)30-27-12-6-7-22(19-27)20-28-16-14-25(15-17-28)29-18-13-23-8-4-5-9-24(23)21-29;3-1(4)2(5)6/h1-12,19,25H,13-18,20-21H2;(H,3,4)(H,5,6)