[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-3-(butylamino)-3-phenyl-prop-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (Z)-3-(butylamino)-3-phenyl-prop-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (Z)-3-(butylamino)-3-phenyl-prop-2-enoate CAS Name: (Z)-3-(butylamino)-3-phenyl-2-propenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-(butylamino)-3-phenylprop-2-enoate Traditional Name: (Z)-3-(butylamino)-3-phenyl-acrylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H35NO2 MolecularWeight: 357.5295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=CC(=O)OC1CC(CCC1C(C)C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCN/C(=C\C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)/C2=CC=CC=C2

InChI

InChI=1S/C23H35NO2/c1-5-6-14-24-21(19-10-8-7-9-11-19)16-23(25)26-22-15-18(4)12-13-20(22)17(2)3/h7-11,16-18,20,22,24H,5-6,12-15H2,1-4H3/b21-16-/t18-,20+,22-/m1/s1