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

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(o-toluoylamino)benzoic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C22H25N3O5/c1-3-30-22(29)25-12-10-24(11-13-25)19-9-8-16(21(27)28)14-18(19)23-20(26)17-7-5-4-6-15(17)2/h4-9,14H,3,10-13H2,1-2H3,(H,23,26)(H,27,28)