[4-(2-ethoxy-2-oxidanylidene-ethyl)phenyl] 4-(1-adamantylcarbamoylamino)butanoate

Systemtic Name: [4-(2-ethoxy-2-oxidanylidene-ethyl)phenyl] 4-(1-adamantylcarbamoylamino)butanoate Openeye Name: [4-(2-ethoxy-2-oxo-ethyl)phenyl] 4-(1-adamantylcarbamoylamino)butanoate CAS Name: 4-[[(1-adamantylamino)-oxomethyl]amino]butanoic acid [4-(2-ethoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-ethoxy-2-oxoethyl)phenyl] 4-(1-adamantylcarbamoylamino)butanoate Traditional Name: 4-(1-adamantylcarbamoylamino)butyric acid [4-(2-ethoxy-2-keto-ethyl)phenyl] ester Formula: C25H34N2O5 MolecularWeight: 442.54786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)OC(=O)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)OC(=O)CCCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H34N2O5/c1-2-31-23(29)13-17-5-7-21(8-6-17)32-22(28)4-3-9-26-24(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h5-8,18-20H,2-4,9-16H2,1H3,(H2,26,27,30)