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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-10-25-20(24)13(5)21-15-11-14(16(22)7-2)8-9-17(15)26-18(12(3)4)19(21)23/h8-9,11-13,18H,6-7,10H2,1-5H3/t13-,18-/m0/s1