sodium 4-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: sodium 4-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoate Openeye Name: sodium 4-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoate CAS Name: sodium 4-[[5-(2-amino-6-chloro-4-quinazolinyl)-2-methoxyphenoxy]methyl]benzoate IUPAC Name: sodium 4-[[5-(2-amino-6-chloroquinazolin-4-yl)-2-methoxyphenoxy]methyl]benzoate Traditional Name: sodium 4-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoate Formula: C23H17ClN3NaO4 MolecularWeight: 457.84155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)OCC4=CC=C(C=C4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)OCC4=CC=C(C=C4)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H18ClN3O4.Na/c1-30-19-9-6-15(21-17-11-16(24)7-8-18(17)26-23(25)27-21)10-20(19)31-12-13-2-4-14(5-3-13)22(28)29;/h2-11H,12H2,1H3,(H,28,29)(H2,25,26,27);/q;+1/p-1