[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C5CCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C5CCCC5)C

InChI

InChI=1S/C27H36N4O4/c1-16-17(2)31(21-6-4-5-7-21)24(22(16)13-28)29-23(33)14-35-25(34)26-9-19-8-20(10-26)12-27(11-19,15-26)30-18(3)32/h19-21H,4-12,14-15H2,1-3H3,(H,29,33)(H,30,32)