3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-1-(phenylmethyl)cyclohexa-3,5-diene-1,2-dicarboxylate

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-1-(phenylmethyl)cyclohexa-3,5-diene-1,2-dicarboxylate Openeye Name: 1-benzyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-cyclohexa-3,5-diene-1,2-dicarboxylate CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-methyl-1-(phenylmethyl)cyclohexa-3,5-diene-1,2-dicarboxylate IUPAC Name: 1-benzyl-3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methylcyclohexa-3,5-diene-1,2-dicarboxylate Traditional Name: 1-benzyl-3-[4-(3,3-diphenylpropyl)piperazino]-2-methyl-cyclohexa-3,5-diene-1,2-dicarboxylate Formula: C35H36N2O4-2 MolecularWeight: 548.67134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC=CC1(CC2=CC=CC=C2)C(=O)[O-])N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC1(C(=CC=CC1(CC2=CC=CC=C2)C(=O)[O-])N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C35H38N2O4/c1-34(32(38)39)31(18-11-20-35(34,33(40)41)26-27-12-5-2-6-13-27)37-24-22-36(23-25-37)21-19-30(28-14-7-3-8-15-28)29-16-9-4-10-17-29/h2-18,20,30H,19,21-26H2,1H3,(H,38,39)(H,40,41)/p-2