ethanedioic acid; 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2-diphenyl-butan-1-one

Systemtic Name: ethanedioic acid; 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2-diphenyl-butan-1-one Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2-diphenyl-butan-1-one; oxalic acid CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-1,2-diphenyl-1-butanone; oxalic acid IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2-diphenylbutan-1-one; oxalic acid Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-1,2-diphenyl-butan-1-one; oxalic acid Formula: C29H32N2O6 MolecularWeight: 504.57418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O2.C2H2O4/c1-31-26-15-9-8-14-25(26)29-20-18-28(19-21-29)17-16-24(22-10-4-2-5-11-22)27(30)23-12-6-3-7-13-23;3-1(4)2(5)6/h2-15,24H,16-21H2,1H3;(H,3,4)(H,5,6)