2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid Traditional Name: 1-(4-benzylpiperidino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone; oxalic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O.C2H2O4/c26-23(18-24-13-12-21-8-4-5-9-22(21)17-24)25-14-10-20(11-15-25)16-19-6-2-1-3-7-19;3-1(4)2(5)6/h1-9,20H,10-18H2;(H,3,4)(H,5,6)