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

Systemtic Name: 2-[(2S)-7-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-7-methyl-4-[2-(3-methylphenoxy)ethyl]-1,4-benzoxazin-2-yl]acetic acid Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCN2C3=C(C=C(C=C3)C)OC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCN2C3=C(C=C(C=C3)C)O[C@H](C2=O)CC(=O)O

InChI

InChI=1S/C20H21NO5/c1-13-4-3-5-15(10-13)25-9-8-21-16-7-6-14(2)11-17(16)26-18(20(21)24)12-19(22)23/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,22,23)/t18-/m0/s1