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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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