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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxy-3-methoxy-phenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-hydroxy-3-methoxy-benzyl)-4-piperidyl]methanone; oxalic acid Formula: C25H30N2O7 MolecularWeight: 470.5149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O3.C2H2O4/c1-28-21-8-4-7-20(22(21)26)15-24-12-9-18(10-13-24)23(27)25-14-11-17-5-2-3-6-19(17)16-25;3-1(4)2(5)6/h2-8,18,26H,9-16H2,1H3;(H,3,4)(H,5,6)