(E)-3-[2-azanyl-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-azanyl-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-amino-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]prop-2-enoic acid CAS Name: (E)-3-[2-amino-5-(3-chlorophenyl)-8-methoxy-7-quinazolinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-amino-5-(3-chlorophenyl)-8-methoxyquinazolin-7-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-amino-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]acrylic acid Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)Cl)C=CC(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)Cl)/C=C/C(=O)O

InChI

InChI=1S/C18H14ClN3O3/c1-25-17-11(5-6-15(23)24)8-13(10-3-2-4-12(19)7-10)14-9-21-18(20)22-16(14)17/h2-9H,1H3,(H,23,24)(H2,20,21,22)/b6-5+