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

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

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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(=O)C

Isomeric SMILES

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

InChI

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