[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C27H33NO3 MolecularWeight: 419.55582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H33NO3/c1-17-4-6-23(7-5-17)28-18(2)8-24(19(28)3)25(29)16-31-26(30)15-27-12-20-9-21(13-27)11-22(10-20)14-27/h4-8,20-22H,9-16H2,1-3H3