3-[(1R,2R,4R,6S)-6-(cyanomethyl)-2-ethynyl-4-methyl-2-[(phenylmethyl)amino]cyclohexyl]propyl ethanoate

Systemtic Name: 3-[(1R,2R,4R,6S)-6-(cyanomethyl)-2-ethynyl-4-methyl-2-[(phenylmethyl)amino]cyclohexyl]propyl ethanoate Openeye Name: 3-[(1R,2R,4R,6S)-2-(benzylamino)-6-(cyanomethyl)-2-ethynyl-4-methyl-cyclohexyl]propyl acetate CAS Name: acetic acid 3-[(1R,2R,4R,6S)-6-(cyanomethyl)-2-ethynyl-4-methyl-2-[(phenylmethyl)amino]cyclohexyl]propyl ester IUPAC Name: 3-[(1R,2R,4R,6S)-2-(benzylamino)-6-(cyanomethyl)-2-ethynyl-4-methylcyclohexyl]propyl acetate Traditional Name: acetic acid 3-[(1R,2R,4R,6S)-2-(benzylamino)-6-(cyanomethyl)-2-ethynyl-4-methyl-cyclohexyl]propyl ester Formula: C23H30N2O2 MolecularWeight: 366.4965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C1)(C#C)NCC2=CC=CC=C2)CCCOC(=O)C)CC#N

Isomeric SMILES

C[C@@H]1C[C@H]([C@H]([C@](C1)(C#C)NCC2=CC=CC=C2)CCCOC(=O)C)CC#N

InChI

InChI=1S/C23H30N2O2/c1-4-23(25-17-20-9-6-5-7-10-20)16-18(2)15-21(12-13-24)22(23)11-8-14-27-19(3)26/h1,5-7,9-10,18,21-22,25H,8,11-12,14-17H2,2-3H3/t18-,21-,22-,23-/m1/s1