4-phenylbutyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate Openeye Name: 4-phenylbutyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[[(1-methylcyclohexyl)methylamino]-oxomethyl]-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]pipecolinic acid 4-phenylbutyl ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)CNC(=O)N2CCCCC2C(=O)OCCCCC3=CC=CC=C3

Isomeric SMILES

CC1(CCCCC1)CNC(=O)N2CCCC[C@H]2C(=O)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H38N2O3/c1-25(16-8-3-9-17-25)20-26-24(29)27-18-10-6-15-22(27)23(28)30-19-11-7-14-21-12-4-2-5-13-21/h2,4-5,12-13,22H,3,6-11,14-20H2,1H3,(H,26,29)/t22-/m0/s1