ethyl 1-[5-(4-fluoranyl-3-methyl-phenyl)-1-(propan-2-ylcarbamoyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-(4-fluoranyl-3-methyl-phenyl)-1-(propan-2-ylcarbamoyl)piperidin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-(4-fluoro-3-methyl-phenyl)-1-(isopropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-(4-fluoro-3-methylphenyl)-1-[oxo-(propan-2-ylamino)methyl]-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-fluoro-3-methylphenyl)-1-(propan-2-ylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(4-fluoro-3-methyl-phenyl)-1-(isopropylcarbamoyl)nipecotoyl]nipecotic acid ethyl ester Formula: C25H36FN3O4 MolecularWeight: 461.569443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2CC(CN(C2)C(=O)NC(C)C)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2CC(CN(C2)C(=O)NC(C)C)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C25H36FN3O4/c1-5-33-24(31)19-7-6-10-28(13-19)23(30)21-12-20(18-8-9-22(26)17(4)11-18)14-29(15-21)25(32)27-16(2)3/h8-9,11,16,19-21H,5-7,10,12-15H2,1-4H3,(H,27,32)