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

Systemtic Name: 2-[(2S)-3-oxidanylidene-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[(4-isopropylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-3-oxo-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(4-isopropylbenzyl)-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C20H20NO4- MolecularWeight: 338.3771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3OC(C2=O)CC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3O[C@H](C2=O)CC(=O)[O-]

InChI

InChI=1S/C20H21NO4/c1-13(2)15-9-7-14(8-10-15)12-21-16-5-3-4-6-17(16)25-18(20(21)24)11-19(22)23/h3-10,13,18H,11-12H2,1-2H3,(H,22,23)/p-1/t18-/m0/s1