(2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexan-1-one

Systemtic Name: (2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexan-1-one Openeye Name: (2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexanone CAS Name: (2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)-1-cyclohexanone IUPAC Name: (2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexan-1-one Traditional Name: (2R,4S)-2-(3-azidopropyl)-4-tert-butyl-2-(4-methoxyphenyl)cyclohexanone Formula: C20H29N3O2 MolecularWeight: 343.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)C(C1)(CCCN=[N+]=[N-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)[C@H]1CCC(=O)[C@@](C1)(CCCN=[N+]=[N-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H29N3O2/c1-19(2,3)16-8-11-18(24)20(14-16,12-5-13-22-23-21)15-6-9-17(25-4)10-7-15/h6-7,9-10,16H,5,8,11-14H2,1-4H3/t16-,20+/m0/s1