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

Systemtic Name: 5-[(3-chlorophenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(3-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(3-chlorophenyl)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(3-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(3-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]benzoic acid Formula: C25H24ClN3O4 MolecularWeight: 465.92876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C25H24ClN3O4/c1-33-23-8-3-2-7-22(23)29-13-11-28(12-14-29)21-10-9-19(16-20(21)25(31)32)27-24(30)17-5-4-6-18(26)15-17/h2-10,15-16H,11-14H2,1H3,(H,27,30)(H,31,32)