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

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-acetamidoadamantane-1-carboxylate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H32N2O4 MolecularWeight: 400.51118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)NC(=O)C)C

InChI

InChI=1S/C23H32N2O4/c1-5-25-14(2)6-19(15(25)3)20(27)12-29-21(28)22-8-17-7-18(9-22)11-23(10-17,13-22)24-16(4)26/h6,17-18H,5,7-13H2,1-4H3,(H,24,26)