2-methylpropyl 4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate

Systemtic Name: 2-methylpropyl 4-[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate Openeye Name: isobutyl 4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoate CAS Name: 4-[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzoate Traditional Name: 4-[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]benzoic acid isobutyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-12(2)11-29-20(26)13-5-7-14(8-6-13)23-19-15-9-17(27-3)18(28-4)10-16(15)24-21(22)25-19/h5-10,12H,11H2,1-4H3,(H,23,24,25)