4-[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-4-amyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C18H22NO5- MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])OC(C1=O)C

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)[O-])O[C@H](C1=O)C

InChI

InChI=1S/C18H23NO5/c1-3-4-5-10-19-14-11-13(15(20)7-9-17(21)22)6-8-16(14)24-12(2)18(19)23/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H,21,22)/p-1/t12-/m0/s1