4-[2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3-chloro-5-methoxy-4-propargyloxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C27H19ClN2O5 MolecularWeight: 486.90316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Cl)OCC#C

InChI

InChI=1S/C27H19ClN2O5/c1-3-14-35-25-21(28)15-17(16-23(25)34-2)8-13-24-29-22-7-5-4-6-20(22)26(31)30(24)19-11-9-18(10-12-19)27(32)33/h1,4-13,15-16H,14H2,2H3,(H,32,33)/b13-8+