3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 3-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H21N3O3/c1-27(2)19-13-10-17(11-14-19)12-15-23-26-22-9-4-3-8-21(22)24(29)28(23)20-7-5-6-18(16-20)25(30)31/h3-16H,1-2H3,(H,30,31)/b15-12+