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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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