methyl 2-azanyl-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methoxy-phenyl]propanoate hydrochloride

Systemtic Name: methyl 2-azanyl-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methoxy-phenyl]propanoate hydrochloride Openeye Name: methyl 2-amino-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methoxy-phenyl]propanoate hydrochloride CAS Name: 2-amino-3-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]-3-methoxyphenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methoxyphenyl]propanoate hydrochloride Traditional Name: 2-amino-3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-methoxy-phenyl]propionic acid methyl ester hydrochloride Formula: C21H25ClN4O5 MolecularWeight: 448.9

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C(=O)OC)N)NC2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CC(C(=O)OC)N)NC2=NC=NC3=CC(=C(C=C32)OC)OC.Cl

InChI

InChI=1S/C21H24N4O5.ClH/c1-27-17-8-12(7-14(22)21(26)30-4)5-6-15(17)25-20-13-9-18(28-2)19(29-3)10-16(13)23-11-24-20;/h5-6,8-11,14H,7,22H2,1-4H3,(H,23,24,25);1H