[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylphenoxy)ethanoate

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylphenoxy)ethanoate Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl] 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4/c1-17-4-2-5-21(8-17)29-16-23(28)30-15-22(27)26(7-3-6-25)24-12-18-9-19(13-24)11-20(10-18)14-24/h2,4-5,8,18-20H,3,7,9-16H2,1H3