heptan-3-yl 4-(1-adamantylcarbamoylamino)butanoate

Systemtic Name: heptan-3-yl 4-(1-adamantylcarbamoylamino)butanoate Openeye Name: 1-ethylpentyl 4-(1-adamantylcarbamoylamino)butanoate CAS Name: 4-[[(1-adamantylamino)-oxomethyl]amino]butanoic acid heptan-3-yl ester IUPAC Name: heptan-3-yl 4-(1-adamantylcarbamoylamino)butanoate Traditional Name: 4-(1-adamantylcarbamoylamino)butyric acid 1-ethylpentyl ester Formula: C22H38N2O3 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)OC(=O)CCCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCC(CC)OC(=O)CCCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H38N2O3/c1-3-5-7-19(4-2)27-20(25)8-6-9-23-21(26)24-22-13-16-10-17(14-22)12-18(11-16)15-22/h16-19H,3-15H2,1-2H3,(H2,23,24,26)