[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5(CCCC5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5(CCCC5)C#N

InChI

InChI=1S/C26H32N2O4/c1-31-21-6-4-20(5-7-21)24-11-18-10-19(12-24)14-25(13-18,16-24)23(30)32-15-22(29)28-26(17-27)8-2-3-9-26/h4-7,18-19H,2-3,8-16H2,1H3,(H,28,29)