4-[[1-(6,7-dimethoxy-4-oxidanylidene-4aH-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[1-(6,7-dimethoxy-4-oxidanylidene-4aH-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[[1-(6,7-dimethoxy-4-oxo-4aH-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid CAS Name: 4-[[1-(6,7-dimethoxy-4-oxo-4aH-quinazolin-2-yl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[[1-(6,7-dimethoxy-4-oxo-4aH-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Traditional Name: 4-[[1-(4-keto-6,7-dimethoxy-4aH-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2C(=NC(=NC2=O)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)O)C=C1OC

Isomeric SMILES

COC1=CC2C(=NC(=NC2=O)N3CCC(CC3)NC4=CC=C(C=C4)C(=O)O)C=C1OC

InChI

InChI=1S/C22H24N4O5/c1-30-18-11-16-17(12-19(18)31-2)24-22(25-20(16)27)26-9-7-15(8-10-26)23-14-5-3-13(4-6-14)21(28)29/h3-6,11-12,15-16,23H,7-10H2,1-2H3,(H,28,29)