2-[(2S)-6-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-6-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-methyl-4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-6-methyl-4-[2-(3-methylphenoxy)ethyl]-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)OCCN2C3=C(C=CC(=C3)C)OC(C2=O)CC(=O)[O-]

Isomeric SMILES

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

InChI

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