propyl (2S)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: propyl (2S)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: propyl (2S)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid propyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C(=O)OCCC)(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2[C@@H](C)C(=O)OCCC)(C)C

InChI

InChI=1S/C20H27NO5/c1-6-8-16(22)14-9-10-17-15(12-14)21(19(24)20(4,5)26-17)13(3)18(23)25-11-7-2/h9-10,12-13H,6-8,11H2,1-5H3/t13-/m0/s1