methyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: methyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: methyl (2R)-2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyric acid methyl 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(CC)C(=O)OC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-8-16(22)13-9-10-17-15(11-13)21(14(7-2)20(24)25-5)19(23)18(26-17)12(3)4/h9-12,14,18H,6-8H2,1-5H3/t14-,18-/m1/s1