3-[2-[(E)-2-(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-allyloxy-3-bromo-5-ethoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-allyloxy-3-bromo-5-ethoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)Br)OCC=C

InChI

InChI=1S/C24H23BrN2O5/c1-3-13-32-23-18(25)14-16(15-20(23)31-4-2)9-10-21-26-19-8-6-5-7-17(19)24(30)27(21)12-11-22(28)29/h3,5-10,14-15H,1,4,11-13H2,2H3,(H,28,29)/b10-9+