[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO3 MolecularWeight: 355.47056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H29NO3/c24-20(14-26-21(25)7-6-16-4-2-1-3-5-16)23-15-22-11-17-8-18(12-22)10-19(9-17)13-22/h1-5,17-19H,6-15H2,(H,23,24)