(4-propan-2-ylphenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 2-[(2R)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoate Openeye Name: (4-isopropylphenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzoxazin-2-yl]acetic acid (4-isopropylbenzyl) ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21NO4/c1-13(2)15-9-7-14(8-10-15)12-24-19(22)11-18-20(23)21-16-5-3-4-6-17(16)25-18/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)/t18-/m1/s1