2-[(2S)-7-methyl-4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-4-(o-tolylmethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-(2-methylbenzyl)-1,4-benzoxazin-2-yl]acetic acid Formula: C19H19NO4 MolecularWeight: 325.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC3=CC=CC=C3C

InChI

InChI=1S/C19H19NO4/c1-12-7-8-15-16(9-12)24-17(10-18(21)22)19(23)20(15)11-14-6-4-3-5-13(14)2/h3-9,17H,10-11H2,1-2H3,(H,21,22)/t17-/m0/s1