[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)COC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H28N2O4/c1-28-20-6-3-2-5-19(20)25(8-4-7-24)21(26)15-29-22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,5-6,16-18H,4,8-15H2,1H3