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

Systemtic Name: 4-[[(2S)-4-butyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-4-butyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)O[C@H](C1=O)C

InChI

InChI=1S/C17H22N2O5/c1-3-4-9-19-13-10-12(18-15(20)7-8-16(21)22)5-6-14(13)24-11(2)17(19)23/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,18,20)(H,21,22)/t11-/m0/s1