2-[(2S)-7-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-7-methyl-3-oxidanylidene-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-7-methyl-3-oxo-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-7-methyl-3-oxo-4-[2-oxo-2-(1-piperidinyl)ethyl]-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-7-methyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-(2-keto-2-piperidino-ethyl)-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)CC(=O)N3CCCCC3

InChI

InChI=1S/C18H22N2O5/c1-12-5-6-13-14(9-12)25-15(10-17(22)23)18(24)20(13)11-16(21)19-7-3-2-4-8-19/h5-6,9,15H,2-4,7-8,10-11H2,1H3,(H,22,23)/t15-/m0/s1