3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-benzoic acid

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-benzoic acid Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methyl-benzoic acid CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-methylbenzoic acid IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-methylbenzoic acid Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-methyl-benzoic acid Formula: C27H30N2O2 MolecularWeight: 414.5393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N2CCN(CC2)CCC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O2/c1-21-24(27(30)31)13-8-14-26(21)29-19-17-28(18-20-29)16-15-25(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-14,25H,15-20H2,1H3,(H,30,31)