(3-phenoxyphenyl)methyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate

Systemtic Name: (3-phenoxyphenyl)methyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate Openeye Name: (3-phenoxyphenyl)methyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[[(1-methylcyclohexyl)methylamino]-oxomethyl]-2-piperidinecarboxylic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(1-methylcyclohexyl)methylcarbamoyl]pipecolinic acid (3-phenoxybenzyl) ester Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)CNC(=O)N2CCCCC2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1(CCCCC1)CNC(=O)N2CCCC[C@H]2C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H36N2O4/c1-28(16-7-3-8-17-28)21-29-27(32)30-18-9-6-15-25(30)26(31)33-20-22-11-10-14-24(19-22)34-23-12-4-2-5-13-23/h2,4-5,10-14,19,25H,3,6-9,15-18,20-21H2,1H3,(H,29,32)/t25-/m0/s1