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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3OC(C2=O)CC(=O)O

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2C3=CC=CC=C3O[C@H](C2=O)CC(=O)O

InChI

InChI=1S/C18H22N2O5/c1-12-6-8-19(9-7-12)16(21)11-20-13-4-2-3-5-14(13)25-15(18(20)24)10-17(22)23/h2-5,12,15H,6-11H2,1H3,(H,22,23)/t15-/m0/s1