2-[(2S)-4-[3-(4-methylphenoxy)propyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-[3-(4-methylphenoxy)propyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[3-(4-methylphenoxy)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[3-(4-methylphenoxy)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[3-(4-methylphenoxy)propyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4-[3-(4-methylphenoxy)propyl]-1,4-benzoxazin-2-yl]acetate Formula: C20H20NO5- MolecularWeight: 354.3765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3OC(C2=O)CC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3O[C@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C20H21NO5/c1-14-7-9-15(10-8-14)25-12-4-11-21-16-5-2-3-6-17(16)26-18(20(21)24)13-19(22)23/h2-3,5-10,18H,4,11-13H2,1H3,(H,22,23)/p-1/t18-/m0/s1