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

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-(m-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=C3)C

Isomeric SMILES

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

InChI

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