4-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]butanoic acid

Systemtic Name: 4-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]butanoic acid Openeye Name: 4-[2-[(E)-2-(3,4-dimethylphenyl)vinyl]-4-oxo-quinazolin-3-yl]butanoic acid CAS Name: 4-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3-quinazolinyl]butanoic acid IUPAC Name: 4-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxoquinazolin-3-yl]butanoic acid Traditional Name: 4-[2-[(E)-2-(3,4-dimethylphenyl)vinyl]-4-keto-quinazolin-3-yl]butyric acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCCC(=O)O)C

InChI

InChI=1S/C22H22N2O3/c1-15-9-10-17(14-16(15)2)11-12-20-23-19-7-4-3-6-18(19)22(27)24(20)13-5-8-21(25)26/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,25,26)/b12-11+