[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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