methyl (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-methyl-butanoate Openeye Name: methyl (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-methyl-butanoate CAS Name: (2S)-2-(1-cyclohex-3-enylmethylamino)-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-methylbutanoate Traditional Name: (2S)-2-(cyclohex-3-en-1-ylmethylamino)-3-methyl-butyric acid methyl ester Formula: C13H23NO2 MolecularWeight: 225.32722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1CCC=CC1

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1CCC=CC1

InChI

InChI=1S/C13H23NO2/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11/h4-5,10-12,14H,6-9H2,1-3H3/t11?,12-/m0/s1