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

Systemtic Name: 4-[[(2S)-2-methyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2S)-3-keto-2-methyl-4-propyl-1,4-benzoxazin-6-yl]amino]butyrate Formula: C16H19N2O5- MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)[O-])OC(C1=O)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)[O-])O[C@H](C1=O)C

InChI

InChI=1S/C16H20N2O5/c1-3-8-18-12-9-11(17-14(19)6-7-15(20)21)4-5-13(12)23-10(2)16(18)22/h4-5,9-10H,3,6-8H2,1-2H3,(H,17,19)(H,20,21)/p-1/t10-/m0/s1