(3-fluoranyl-4-methoxy-phenyl)methyl 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C25H30FNO5 MolecularWeight: 443.507803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)OC)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC(=C(C=C2)OC)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H30FNO5/c1-4-5-14-27-23(28)13-11-20(24(27)18-7-9-19(30-2)10-8-18)25(29)32-16-17-6-12-22(31-3)21(26)15-17/h6-10,12,15,20,24H,4-5,11,13-14,16H2,1-3H3