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

Systemtic Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-2,2-dimethyl-3-oxidanyl-propanoic acid Openeye Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-3-hydroxy-2,2-dimethyl-propanoic acid CAS Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]-3-hydroxy-2,2-dimethylpropanoic acid IUPAC Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-3-hydroxy-2,2-dimethylpropanoic acid Traditional Name: 3-[5-(3-chlorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]-3-hydroxy-2,2-dimethyl-propionic acid Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c1-21(2,19(27)28)18(26)14-9-13(11-6-5-7-12(22)8-11)15-10-24-20(23-3)25-16(15)17(14)29-4/h5-10,18,26H,1-4H3,(H,27,28)(H,23,24,25)