[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C

InChI

InChI=1S/C25H36N2O5/c1-16-8-21(17(2)27(16)6-5-7-31-4)22(29)14-32-23(30)24-10-19-9-20(11-24)13-25(12-19,15-24)26-18(3)28/h8,19-20H,5-7,9-15H2,1-4H3,(H,26,28)