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

Systemtic Name: ethanedioic acid; 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-1,2-diphenyl-butan-1-one Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-1,2-diphenyl-butan-1-one; oxalic acid CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-methyl-1,2-diphenyl-1-butanone; oxalic acid IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-1,2-diphenylbutan-1-one; oxalic acid Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-2-methyl-1,2-diphenyl-butan-1-one; oxalic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)C2=CC=CC=C2OC)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCN1CCN(CC1)C2=CC=CC=C2OC)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O2.C2H2O4/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2;3-1(4)2(5)6/h3-16H,17-22H2,1-2H3;(H,3,4)(H,5,6)