dimethyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O5/c1-36-28(34)23-13-14-24(29(35)37-2)25(19-23)30-26(33)20-31-15-17-32(18-16-31)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,27H,15-18,20H2,1-2H3,(H,30,33)