[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C24H31NO6 MolecularWeight: 429.50604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H31NO6/c1-29-20-4-3-18(10-21(20)30-2)19(26)14-31-22(27)5-6-25-23(28)24-11-15-7-16(12-24)9-17(8-15)13-24/h3-4,10,15-17H,5-9,11-14H2,1-2H3,(H,25,28)