ethanedioic acid; 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperidyl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-[4-(2-methoxyphenyl)piperazino]piperidino]-2-phenoxy-ethanone; oxalic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O3.C2H2O4/c1-29-23-10-6-5-9-22(23)26-17-15-25(16-18-26)20-11-13-27(14-12-20)24(28)19-30-21-7-3-2-4-8-21;3-1(4)2(5)6/h2-10,20H,11-19H2,1H3;(H,3,4)(H,5,6)