4-oxidanylidene-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid Openeye Name: 4-oxo-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid CAS Name: 4-oxo-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid IUPAC Name: 4-oxo-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid Traditional Name: 4-keto-2-[4-[(E)-4-phenylbut-1-enyl]phenyl]-1H-quinazoline-5-carboxylic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=CC2=CC=C(C=C2)C3=NC(=O)C4=C(C=CC=C4N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC/C=C/C2=CC=C(C=C2)C3=NC(=O)C4=C(C=CC=C4N3)C(=O)O

InChI

InChI=1S/C25H20N2O3/c28-24-22-20(25(29)30)11-6-12-21(22)26-23(27-24)19-15-13-18(14-16-19)10-5-4-9-17-7-2-1-3-8-17/h1-3,5-8,10-16H,4,9H2,(H,29,30)(H,26,27,28)/b10-5+