(4-ethylphenyl) 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (4-ethylphenyl) 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (4-ethylphenyl) 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid (4-ethylphenyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3OC(C2=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)CCN2C3=CC=CC=C3O[C@H](C2=O)C

InChI

InChI=1S/C20H21NO4/c1-3-15-8-10-16(11-9-15)25-19(22)12-13-21-17-6-4-5-7-18(17)24-14(2)20(21)23/h4-11,14H,3,12-13H2,1-2H3/t14-/m0/s1