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

Systemtic Name: 4-[[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-4-amyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-3-4-5-10-20-14-11-13(19-16(21)8-9-17(22)23)6-7-15(14)25-12(2)18(20)24/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,21)(H,22,23)/t12-/m0/s1