4-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OCC#C

InChI

InChI=1S/C28H22N2O5/c1-3-17-35-24-15-9-19(18-25(24)34-4-2)10-16-26-29-23-8-6-5-7-22(23)27(31)30(26)21-13-11-20(12-14-21)28(32)33/h1,5-16,18H,4,17H2,2H3,(H,32,33)/b16-10+