(3,5-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,5-dimethoxyphenyl)-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,5-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-[4-(1-naphthylmethyl)piperazino]methanone; oxalic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O3.C2H2O4/c1-28-21-14-20(15-22(16-21)29-2)24(27)26-12-10-25(11-13-26)17-19-8-5-7-18-6-3-4-9-23(18)19;3-1(4)2(5)6/h3-9,14-16H,10-13,17H2,1-2H3;(H,3,4)(H,5,6)