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

Systemtic Name: 4-[[(2S)-2-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-methyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-4-amyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C18H23N2O5- MolecularWeight: 347.38562

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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)/p-1/t12-/m0/s1