4-[[1-(6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[1-(6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[[1-(6,7-dimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoic acid CAS Name: 4-[[1-(6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[[1-(6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Traditional Name: 4-[[1-(6,7-dimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC(=N2)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC(=N2)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C22H24N4O4/c1-29-19-11-15-13-23-22(25-18(15)12-20(19)30-2)26-9-7-17(8-10-26)24-16-5-3-14(4-6-16)21(27)28/h3-6,11-13,17,24H,7-10H2,1-2H3,(H,27,28)