4-[2-[(E)-2-naphthalen-1-ylethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-naphthalen-1-ylethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(1-naphthyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(1-naphthalenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-naphthalen-1-ylethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[4-keto-2-[(E)-2-(1-naphthyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C27H18N2O3 MolecularWeight: 418.44342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C=CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2/C=C/C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H18N2O3/c30-26-23-10-3-4-11-24(23)28-25(29(26)21-15-12-20(13-16-21)27(31)32)17-14-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H,(H,31,32)/b17-14+