3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethyl-propionic acid Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=NC(=NC=C2C(=C1)C3=CC(=CC=C3)Cl)NC)OC)C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C2=NC(=NC=C2C(=C1)C3=CC(=CC=C3)Cl)NC)OC)C(=O)O

InChI

InChI=1S/C21H22ClN3O3/c1-21(2,19(26)27)10-13-9-15(12-6-5-7-14(22)8-12)16-11-24-20(23-3)25-17(16)18(13)28-4/h5-9,11H,10H2,1-4H3,(H,26,27)(H,23,24,25)