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

Systemtic Name: 5-[(3-chlorophenyl)carbonylamino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Openeye Name: 5-[(3-chlorobenzoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 5-[[(3-chlorophenyl)-oxomethyl]amino]-2-(4-ethoxycarbonyl-1-piperazinyl)benzoic acid IUPAC Name: 5-[(3-chlorobenzoyl)amino]-2-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid Traditional Name: 2-(4-carbethoxypiperazino)-5-[(3-chlorobenzoyl)amino]benzoic acid Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c1-2-30-21(29)25-10-8-24(9-11-25)18-7-6-16(13-17(18)20(27)28)23-19(26)14-4-3-5-15(22)12-14/h3-7,12-13H,2,8-11H2,1H3,(H,23,26)(H,27,28)