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

Systemtic Name: 2-[(2S)-4-[(4-tert-butylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[(4-tert-butylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-(4-tert-butylbenzyl)-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C21H22NO4- MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-21(2,3)15-10-8-14(9-11-15)13-22-16-6-4-5-7-17(16)26-18(20(22)25)12-19(23)24/h4-11,18H,12-13H2,1-3H3,(H,23,24)/p-1/t18-/m0/s1