[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C24H30N2O5/c1-29-20-9-19(10-21(11-20)30-2)23(28)31-15-22(27)26(5-3-4-25)24-12-16-6-17(13-24)8-18(7-16)14-24/h9-11,16-18H,3,5-8,12-15H2,1-2H3