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

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-yl-methanone; ethanedioic acid Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: 1-naphthyl-(4-veratrylpiperazino)methanone; oxalic acid Formula: C26H28N2O7 MolecularWeight: 480.50972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)OC.C(=O)(C(=O)O)O

InChI

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