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

Systemtic Name: 3-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(3,4-dimethylphenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(3,4-dimethylphenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(3,4-dimethylphenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O)C

InChI

InChI=1S/C21H20N2O3/c1-14-7-8-16(13-15(14)2)9-10-19-22-18-6-4-3-5-17(18)21(26)23(19)12-11-20(24)25/h3-10,13H,11-12H2,1-2H3,(H,24,25)/b10-9+