3-[4-oxidanylidene-2-[(E)-2-(4-pentoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid

Systemtic Name: 3-[4-oxidanylidene-2-[(E)-2-(4-pentoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Openeye Name: 3-[4-oxo-2-[(E)-2-(4-pentoxyphenyl)vinyl]quinazolin-3-yl]propanoic acid CAS Name: 3-[4-oxo-2-[(E)-2-(4-pentoxyphenyl)ethenyl]-3-quinazolinyl]propanoic acid IUPAC Name: 3-[4-oxo-2-[(E)-2-(4-pentoxyphenyl)ethenyl]quinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-amoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C24H26N2O4/c1-2-3-6-17-30-19-12-9-18(10-13-19)11-14-22-25-21-8-5-4-7-20(21)24(29)26(22)16-15-23(27)28/h4-5,7-14H,2-3,6,15-17H2,1H3,(H,27,28)/b14-11+