1-[(2R)-2-azanyl-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide

Systemtic Name: 1-[(2R)-2-azanyl-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide Openeye Name: 1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-piperidine-4-carboxamide CAS Name: 1-[(2R)-2-amino-3-(4-chlorophenyl)-1-oxopropyl]-N-tert-butyl-4-cyclohexyl-4-piperidinecarboxamide IUPAC Name: 1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-cyclohexylpiperidine-4-carboxamide Traditional Name: 1-[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]-N-tert-butyl-4-cyclohexyl-isonipecotamide Formula: C25H38ClN3O2 MolecularWeight: 448.04112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)Cl)N)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)Cl)N)C3CCCCC3

InChI

InChI=1S/C25H38ClN3O2/c1-24(2,3)28-23(31)25(19-7-5-4-6-8-19)13-15-29(16-14-25)22(30)21(27)17-18-9-11-20(26)12-10-18/h9-12,19,21H,4-8,13-17,27H2,1-3H3,(H,28,31)/t21-/m1/s1