ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazino]ethanone; oxalic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2.C2H2O4/c1-19-7-5-11-21(17-19)26-18-22(25)24-15-13-23(14-16-24)12-6-10-20-8-3-2-4-9-20;3-1(4)2(5)6/h2-5,7-9,11,17H,6,10,12-16,18H2,1H3;(H,3,4)(H,5,6)