(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzoxazin-4-yl)propanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)propionic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CCN2C(=O)COC3=CC=CC=C32)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CCN2C(=O)COC3=CC=CC=C32)C)C(C)(C)C

InChI

InChI=1S/C24H29NO4/c1-16-12-18(24(3,4)5)13-17(2)19(16)14-29-23(27)10-11-25-20-8-6-7-9-21(20)28-15-22(25)26/h6-9,12-13H,10-11,14-15H2,1-5H3