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

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H30N2O3/c1-17-3-5-21(6-4-17)26(8-2-7-25)22(27)16-29-23(28)15-24-12-18-9-19(13-24)11-20(10-18)14-24/h3-6,18-20H,2,8-16H2,1H3