[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(2-methoxy-5-methyl-phenyl)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(2-methoxy-5-methyl-phenyl)acetate CAS Name: 2-(2-methoxy-5-methylphenyl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-methoxy-5-methylphenyl)acetate Traditional Name: 2-(2-methoxy-5-methyl-phenyl)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CC(=O)OCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H32N2O4/c1-17-4-5-22(30-2)21(8-17)12-24(29)31-16-23(28)27(7-3-6-26)25-13-18-9-19(14-25)11-20(10-18)15-25/h4-5,8,18-20H,3,7,9-16H2,1-2H3