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

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2C3CC4CC(C3)CC2C4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H29N3O3/c1-15-16(2)29(21-6-4-3-5-7-21)25(22(15)13-27)28-23(30)14-32-26(31)24-19-9-17-8-18(11-19)12-20(24)10-17/h3-7,17-20,24H,8-12,14H2,1-2H3,(H,28,30)