ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-(2-hydroxy-3-methoxy-benzyl)isonipecotic acid ethyl ester Formula: C23H28FNO4 MolecularWeight: 401.471123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)O)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(C(=CC=C2)OC)O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C23H28FNO4/c1-3-29-22(27)23(15-17-6-4-8-19(24)14-17)10-12-25(13-11-23)16-18-7-5-9-20(28-2)21(18)26/h4-9,14,26H,3,10-13,15-16H2,1-2H3