ethanedioic acid; (3-methoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-[4-(3-phenoxybenzyl)piperazino]methanone; oxalic acid Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O3.C2H2O4/c1-29-23-11-6-8-21(18-23)25(28)27-15-13-26(14-16-27)19-20-7-5-12-24(17-20)30-22-9-3-2-4-10-22;3-1(4)2(5)6/h2-12,17-18H,13-16,19H2,1H3;(H,3,4)(H,5,6)