2-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[4-(p-tolyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[4-(4-methylphenyl)-1-piperazinyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[4-(p-tolyl)piperazino]phenyl]carbamoyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H25N3O3/c1-18-6-10-20(11-7-18)27-14-16-28(17-15-27)21-12-8-19(9-13-21)26-24(29)22-4-2-3-5-23(22)25(30)31/h2-13H,14-17H2,1H3,(H,26,29)(H,30,31)