[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C24H33NO5/c1-3-7-29-20-6-5-19(11-21(20)28-4-2)23(27)30-15-22(26)25-24-12-16-8-17(13-24)10-18(9-16)14-24/h5-6,11,16-18H,3-4,7-10,12-15H2,1-2H3,(H,25,26)