[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: (4-o-veratrylpiperazino)-phenyl-methanone; oxalic acid Formula: C22H26N2O7 MolecularWeight: 430.45104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3.C2H2O4/c1-24-18-10-6-9-17(19(18)25-2)15-21-11-13-22(14-12-21)20(23)16-7-4-3-5-8-16;3-1(4)2(5)6/h3-10H,11-15H2,1-2H3;(H,3,4)(H,5,6)