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

Systemtic Name: 4-[[(2S)-2-methyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S)-4-isopentyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-2-methyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2S)-4-isoamyl-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:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CCC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CCC(C)C

InChI

InChI=1S/C18H24N2O5/c1-11(2)8-9-20-14-10-13(19-16(21)6-7-17(22)23)4-5-15(14)25-12(3)18(20)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,21)(H,22,23)/p-1/t12-/m0/s1