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

Systemtic Name: 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoic acid CAS Name: 4-[[1-(4,6,7-trimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Traditional Name: 4-[[1-(4,6,7-trimethoxyquinazolin-2-yl)-4-piperidyl]amino]benzoic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-30-19-12-17-18(13-20(19)31-2)25-23(26-21(17)32-3)27-10-8-16(9-11-27)24-15-6-4-14(5-7-15)22(28)29/h4-7,12-13,16,24H,8-11H2,1-3H3,(H,28,29)