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

Systemtic Name: 2-(4-ethanoylpiperazin-1-yl)-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-(4-acetylpiperazin-1-yl)-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-(4-acetyl-1-piperazinyl)-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-(4-acetylpiperazin-1-yl)-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-(4-acetylpiperazino)-5-(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=CC(=C(C=C2)N3CCN(CC3)C(=O)C)C(=O)O

Isomeric SMILES

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

InChI

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