4-[(2S)-4-oxidanylidene-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]benzoic acid

Systemtic Name: 4-[(2S)-4-oxidanylidene-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[(2S)-3-allyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 4-[(2S)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[(2S)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 4-[(2S)-3-allyl-4-keto-1,2-dihydroquinazolin-2-yl]benzoic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C=CCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O3/c1-2-11-20-16(12-7-9-13(10-8-12)18(22)23)19-15-6-4-3-5-14(15)17(20)21/h2-10,16,19H,1,11H2,(H,22,23)/t16-/m0/s1