O2-methyl O1-(phenylmethyl) 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzene-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzene-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzene-1,2-dicarboxylate CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]benzene-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]benzene-1,2-dicarboxylate Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]benzene-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C35H36N2O4 MolecularWeight: 548.67134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H36N2O4/c1-40-35(39)33-31(34(38)41-26-27-12-5-2-6-13-27)18-11-19-32(33)37-24-22-36(23-25-37)21-20-30(28-14-7-3-8-15-28)29-16-9-4-10-17-29/h2-19,30H,20-26H2,1H3