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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoic acid Traditional Name: 4-(4-acetylpiperazino)-3-(o-toluoylamino)benzoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H23N3O4/c1-14-5-3-4-6-17(14)20(26)22-18-13-16(21(27)28)7-8-19(18)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3,(H,22,26)(H,27,28)