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

Systemtic Name: 4-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid CAS Name: 4-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]amino]benzoic acid Traditional Name: 4-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]amino]benzoic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O4/c1-30-18-11-16-17(12-19(18)31-2)25-22(26-20(16)23)27-9-7-15(8-10-27)24-14-5-3-13(4-6-14)21(28)29/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,28,29)(H2,23,25,26)