2-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[4-(m-tolyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[4-(3-methylphenyl)-1-piperazinyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[4-(m-tolyl)piperazino]phenyl]carbamoyl]benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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