ethyl 1-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[(4-fluoro-3-methyl-phenyl)methylamino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-fluoro-3-methyl-benzyl)amino]-2-keto-ethyl]nipecotic acid ethyl ester Formula: C18H25FN2O3 MolecularWeight: 336.401103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC(=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)NCC2=CC(=C(C=C2)F)C

InChI

InChI=1S/C18H25FN2O3/c1-3-24-18(23)15-5-4-8-21(11-15)12-17(22)20-10-14-6-7-16(19)13(2)9-14/h6-7,9,15H,3-5,8,10-12H2,1-2H3,(H,20,22)