5-[(3-chlorophenyl)carbonylamino]-2-(4-pentan-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-[(3-chlorophenyl)carbonylamino]-2-(4-pentan-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(3-chlorobenzoyl)amino]-2-[4-(1-methylbutyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(3-chlorophenyl)-oxomethyl]amino]-2-(4-pentan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(3-chlorobenzoyl)amino]-2-(4-pentan-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-[(3-chlorobenzoyl)amino]-2-[4-(1-methylbutyl)piperazino]benzoic acid Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CCCC(C)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C23H28ClN3O3/c1-3-5-16(2)26-10-12-27(13-11-26)21-9-8-19(15-20(21)23(29)30)25-22(28)17-6-4-7-18(24)14-17/h4,6-9,14-16H,3,5,10-13H2,1-2H3,(H,25,28)(H,29,30)