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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxyphenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-salicyl-4-piperidyl)methanone; oxalic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2.C2H2O4/c25-21-8-4-3-7-20(21)15-23-12-9-18(10-13-23)22(26)24-14-11-17-5-1-2-6-19(17)16-24;3-1(4)2(5)6/h1-8,18,25H,9-16H2;(H,3,4)(H,5,6)