3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methoxycarbonyl-benzoate

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methoxycarbonyl-benzoate Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methoxycarbonyl-benzoate CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-methoxycarbonylbenzoate IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methoxycarbonylbenzoate Traditional Name: 2-carbomethoxy-3-[4-(3,3-diphenylpropyl)piperazino]benzoate Formula: C28H29N2O4- MolecularWeight: 457.54086

Click to see the large picture

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)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C28H30N2O4/c1-34-28(33)26-24(27(31)32)13-8-14-25(26)30-19-17-29(18-20-30)16-15-23(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,23H,15-20H2,1H3,(H,31,32)/p-1