[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H31NO6 MolecularWeight: 393.47394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC2CCCCC2

InChI

InChI=1S/C21H31NO6/c1-25-17-11-16(12-18(26-2)21(17)27-3)9-10-20(24)28-14-19(23)22-13-15-7-5-4-6-8-15/h11-12,15H,4-10,13-14H2,1-3H3,(H,22,23)