ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-phenylpiperazino)piperidino]ethanone; oxalic acid Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O2.C2H2O4/c1-20-6-5-9-23(18-20)29-19-24(28)27-12-10-22(11-13-27)26-16-14-25(15-17-26)21-7-3-2-4-8-21;3-1(4)2(5)6/h2-9,18,22H,10-17,19H2,1H3;(H,3,4)(H,5,6)