ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-methoxy-4-oxidanylidene-butanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-methoxy-4-oxidanylidene-butanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-methoxy-4-oxo-butanoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-(4-methoxy-1,4-dioxobutyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-methoxy-4-oxobutanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(4-keto-4-methoxy-butanoyl)nipecotic acid ethyl ester Formula: C20H26FNO5 MolecularWeight: 379.422543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCC(=O)OC)CC2=CC=CC=C2F

InChI

InChI=1S/C20H26FNO5/c1-3-27-19(25)20(13-15-7-4-5-8-16(15)21)11-6-12-22(14-20)17(23)9-10-18(24)26-2/h4-5,7-8H,3,6,9-14H2,1-2H3/t20-/m0/s1