4-[5-cyclohexyl-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-cyclohexyl-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-cyclohexyl-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-cyclohexyl-8-methoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-cyclohexyl-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-cyclohexyl-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=CC(=C2C=N1)C3CCCCC3)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CNC1=NC2=C(C(=CC(=C2C=N1)C3CCCCC3)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C23H25N3O3/c1-24-23-25-13-19-17(14-6-4-3-5-7-14)12-18(21(29-2)20(19)26-23)15-8-10-16(11-9-15)22(27)28/h8-14H,3-7H2,1-2H3,(H,27,28)(H,24,25,26)