ethyl (2S)-2-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl (2S)-2-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)C(C)C

Isomeric SMILES

CC[C@@H](C(=O)OCC)N1C2=C(C=CC(=C2)C(=O)CC)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C20H27NO5/c1-6-14(20(24)25-8-3)21-15-11-13(16(22)7-2)9-10-17(15)26-18(12(4)5)19(21)23/h9-12,14,18H,6-8H2,1-5H3/t14-,18-/m0/s1