prop-2-ynyl 12-(1-adamantylcarbamoylamino)dodecanoate

Systemtic Name: prop-2-ynyl 12-(1-adamantylcarbamoylamino)dodecanoate Openeye Name: prop-2-ynyl 12-(1-adamantylcarbamoylamino)dodecanoate CAS Name: 12-[[(1-adamantylamino)-oxomethyl]amino]dodecanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 12-(1-adamantylcarbamoylamino)dodecanoate Traditional Name: 12-(1-adamantylcarbamoylamino)lauric acid propargyl ester Formula: C26H42N2O3 MolecularWeight: 430.62328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C#CCOC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C26H42N2O3/c1-2-14-31-24(29)12-10-8-6-4-3-5-7-9-11-13-27-25(30)28-26-18-21-15-22(19-26)17-23(16-21)20-26/h1,21-23H,3-20H2,(H2,27,28,30)