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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-m-anisyl-4-piperidyl)methanone; oxalic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O2.C2H2O4/c1-27-22-8-4-5-18(15-22)16-24-12-9-20(10-13-24)23(26)25-14-11-19-6-2-3-7-21(19)17-25;3-1(4)2(5)6/h2-8,15,20H,9-14,16-17H2,1H3;(H,3,4)(H,5,6)