2-[(2S,4R)-6-bromanyl-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[(2S,4R)-6-bromanyl-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid CAS Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid IUPAC Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid Traditional Name: 2-[(2S,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetic acid Formula: C22H19BrN2O3 MolecularWeight: 439.30186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)NC(N2CC(=O)O)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C3=C(C=CC(=C3)Br)N[C@@H](N2CC(=O)O)C4=CC=CC=C4O

InChI

InChI=1S/C22H19BrN2O3/c23-15-10-11-18-17(12-15)21(14-6-2-1-3-7-14)25(13-20(27)28)22(24-18)16-8-4-5-9-19(16)26/h1-12,21-22,24,26H,13H2,(H,27,28)/t21-,22+/m1/s1