ethanedioic acid; (4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-(4-phenylpiperazino)piperidino]methanone; oxalic acid Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29N3O2.C2H2O4/c1-28-22-9-7-19(8-10-22)23(27)26-13-11-21(12-14-26)25-17-15-24(16-18-25)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,21H,11-18H2,1H3;(H,3,4)(H,5,6)