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

Systemtic Name: ethanedioic acid; 2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(2-ethoxyphenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[1-[(2-ethoxyphenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[1-(2-ethoxybenzyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCC(CC2)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCC(CC2)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O.C2H2O4/c1-2-26-23-10-6-5-9-21(23)17-24-14-12-22(13-15-24)25-16-11-19-7-3-4-8-20(19)18-25;3-1(4)2(5)6/h3-10,22H,2,11-18H2,1H3;(H,3,4)(H,5,6)