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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-naphthylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-naphthalenylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-naphthylmethyl)-4-piperidyl]methanone; oxalic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O.C2H2O4/c29-26(28-17-14-20-6-1-2-8-23(20)19-28)22-12-15-27(16-13-22)18-24-10-5-9-21-7-3-4-11-25(21)24;3-1(4)2(5)6/h1-11,22H,12-19H2;(H,3,4)(H,5,6)