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

Systemtic Name: 3-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-2-(4-acetamidophenyl)vinyl]-4-oxo-quinazolin-3-yl]propanoic acid CAS Name: 3-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-4-oxo-3-quinazolinyl]propanoic acid IUPAC Name: 3-[2-[(E)-2-(4-acetamidophenyl)ethenyl]-4-oxoquinazolin-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-2-(4-acetamidophenyl)vinyl]-4-keto-quinazolin-3-yl]propionic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2CCC(=O)O

InChI

InChI=1S/C21H19N3O4/c1-14(25)22-16-9-6-15(7-10-16)8-11-19-23-18-5-3-2-4-17(18)21(28)24(19)13-12-20(26)27/h2-11H,12-13H2,1H3,(H,22,25)(H,26,27)/b11-8+