[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenoxy)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenoxy)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic 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=C(C=C1)OCC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5/c1-29-20-3-5-21(6-4-20)30-16-23(28)31-15-22(27)26(8-2-7-25)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-6,17-19H,2,8-16H2,1H3