3-[(3-methylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-[(3-methylphenyl)carbonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid Openeye Name: 3-[(3-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid IUPAC Name: 3-[(3-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-methylpiperazino)-3-(m-toluoylamino)benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-14-4-3-5-15(12-14)19(24)21-17-13-16(20(25)26)6-7-18(17)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)(H,25,26)