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

Systemtic Name: 2-[(2S)-4-oxidanylidene-3-propyl-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 2-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 2-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 2-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 2-[(2S)-4-keto-3-propyl-1,2-dihydroquinazolin-2-yl]benzoic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCN1[C@H](NC2=CC=CC=C2C1=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H18N2O3/c1-2-11-20-16(12-7-3-4-8-13(12)18(22)23)19-15-10-6-5-9-14(15)17(20)21/h3-10,16,19H,2,11H2,1H3,(H,22,23)/t16-/m0/s1