4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]cyclohex-3-ene-1-carboxylic acid Formula: C23H22ClN3O3 MolecularWeight: 423.89208

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CCC(CC3)C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CCC(CC3)C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN3O3/c1-25-23-26-12-19-17(15-4-3-5-16(24)10-15)11-18(21(30-2)20(19)27-23)13-6-8-14(9-7-13)22(28)29/h3-6,10-12,14H,7-9H2,1-2H3,(H,28,29)(H,25,26,27)