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

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(2,3,4-trimethoxybenzyl)piperazino]methanone; oxalic acid Formula: C27H30N2O8 MolecularWeight: 510.5357

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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)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)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O4.C2H2O4/c1-29-22-12-11-19(23(30-2)24(22)31-3)17-26-13-15-27(16-14-26)25(28)21-10-6-8-18-7-4-5-9-20(18)21;3-1(4)2(5)6/h4-12H,13-17H2,1-3H3;(H,3,4)(H,5,6)