3-[ethanoyl-[2-oxidanylidene-3-(2-pyridin-4-ylethyl)piperidin-1-yl]amino]-2-methyl-propanoic acid

Systemtic Name: 3-[ethanoyl-[2-oxidanylidene-3-(2-pyridin-4-ylethyl)piperidin-1-yl]amino]-2-methyl-propanoic acid Openeye Name: 3-[acetyl-[2-oxo-3-[2-(4-pyridyl)ethyl]-1-piperidyl]amino]-2-methyl-propanoic acid CAS Name: 3-[acetyl-[2-oxo-3-(2-pyridin-4-ylethyl)-1-piperidinyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[acetyl-[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl]amino]-2-methylpropanoic acid Traditional Name: 3-[acetyl-[2-keto-3-[2-(4-pyridyl)ethyl]piperidino]amino]-2-methyl-propionic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(=O)C)N1CCCC(C1=O)CCC2=CC=NC=C2)C(=O)O

Isomeric SMILES

CC(CN(C(=O)C)N1CCCC(C1=O)CCC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C18H25N3O4/c1-13(18(24)25)12-21(14(2)22)20-11-3-4-16(17(20)23)6-5-15-7-9-19-10-8-15/h7-10,13,16H,3-6,11-12H2,1-2H3,(H,24,25)