(3-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (3-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (3-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (3-chlorobenzyl) ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H27ClN2O3/c22-18-3-1-2-14(9-18)13-27-19(25)4-5-23-20(26)24-21-10-15-6-16(11-21)8-17(7-15)12-21/h1-3,9,15-17H,4-8,10-13H2,(H2,23,24,26)