3-[6-(2-chlorophenyl)-7-methoxy-2-(propan-2-ylamino)quinazolin-8-yl]propanoic acid

Systemtic Name: 3-[6-(2-chlorophenyl)-7-methoxy-2-(propan-2-ylamino)quinazolin-8-yl]propanoic acid Openeye Name: 3-[6-(2-chlorophenyl)-2-(isopropylamino)-7-methoxy-quinazolin-8-yl]propanoic acid CAS Name: 3-[6-(2-chlorophenyl)-7-methoxy-2-(propan-2-ylamino)-8-quinazolinyl]propanoic acid IUPAC Name: 3-[6-(2-chlorophenyl)-7-methoxy-2-(propan-2-ylamino)quinazolin-8-yl]propanoic acid Traditional Name: 3-[6-(2-chlorophenyl)-2-(isopropylamino)-7-methoxy-quinazolin-8-yl]propionic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C(=C(C=C2C=N1)C3=CC=CC=C3Cl)OC)CCC(=O)O

Isomeric SMILES

CC(C)NC1=NC2=C(C(=C(C=C2C=N1)C3=CC=CC=C3Cl)OC)CCC(=O)O

InChI

InChI=1S/C21H22ClN3O3/c1-12(2)24-21-23-11-13-10-16(14-6-4-5-7-17(14)22)20(28-3)15(19(13)25-21)8-9-18(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,26,27)(H,23,24,25)