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

Systemtic Name: 4-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[5-(2-amino-6-chloro-4-quinazolinyl)-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[5-(2-amino-6-chloroquinazolin-4-yl)-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methoxy-phenoxy]methyl]benzoic acid Formula: C23H18ClN3O4 MolecularWeight: 435.85972

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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

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

InChI

InChI=1S/C23H18ClN3O4/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)