5-[(3-methylphenyl)carbonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(3-methylphenyl)carbonylamino]-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(3-methylbenzoyl)amino]-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(3-methylphenyl)-oxomethyl]amino]-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(3-methylbenzoyl)amino]-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 5-(m-toluoylamino)-2-(4-phenylpiperazino)benzoic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

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