4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C22H23N5O5 MolecularWeight: 437.44852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H23N5O5/c1-31-18-11-16-17(12-19(18)32-2)23-13-24-20(16)26-7-9-27(10-8-26)22(30)25-15-5-3-14(4-6-15)21(28)29/h3-6,11-13H,7-10H2,1-2H3,(H,25,30)(H,28,29)