[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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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)Cl)CC5=CC=CO5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl)CC5=CC=CO5)C

InChI

InChI=1S/C25H28ClN3O4/c1-15-16(2)29(12-19-4-3-5-32-19)22(20(15)11-27)28-21(30)13-33-23(31)24-7-17-6-18(8-24)10-25(26,9-17)14-24/h3-5,17-18H,6-10,12-14H2,1-2H3,(H,28,30)