[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methoxymethyl)benzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methoxymethyl)benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 4-(methoxymethyl)benzoate CAS Name: 4-(methoxymethyl)benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 4-(methoxymethyl)benzoate Traditional Name: 4-(methoxymethyl)benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)COC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(C=C4)COC

InChI

InChI=1S/C23H31NO4/c1-15(23-10-17-7-18(11-23)9-19(8-17)12-23)24-21(25)14-28-22(26)20-5-3-16(4-6-20)13-27-2/h3-6,15,17-19H,7-14H2,1-2H3,(H,24,25)