3-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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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)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)Cl)OC

InChI

InChI=1S/C22H21ClN2O5/c1-3-30-18-13-14(12-16(23)21(18)29-2)8-9-19-24-17-7-5-4-6-15(17)22(28)25(19)11-10-20(26)27/h4-9,12-13H,3,10-11H2,1-2H3,(H,26,27)/b9-8+