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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-ethoxyphenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-ethoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-ethoxybenzyl)-4-piperidyl]methanone; oxalic acid Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O2.C2H2O4/c1-2-28-23-9-7-19(8-10-23)17-25-14-11-21(12-15-25)24(27)26-16-13-20-5-3-4-6-22(20)18-26;3-1(4)2(5)6/h3-10,21H,2,11-18H2,1H3;(H,3,4)(H,5,6)