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

Systemtic Name: 4-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]benzoic acid Openeye Name: 4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid CAS Name: 4-[(2S)-4-oxo-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]benzoic acid IUPAC Name: 4-[(2S)-3-benzyl-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid Traditional Name: 4-[(2S)-3-benzyl-4-keto-1,2-dihydroquinazolin-2-yl]benzoic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@H](NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N2O3/c25-21-18-8-4-5-9-19(18)23-20(16-10-12-17(13-11-16)22(26)27)24(21)14-15-6-2-1-3-7-15/h1-13,20,23H,14H2,(H,26,27)/t20-/m0/s1