[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C26H35NO4 MolecularWeight: 425.5604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCC(CC3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)COC(=O)C3CCC(CC3)C(C)(C)C

InChI

InChI=1S/C26H35NO4/c1-17-15-23(18(2)27(17)21-11-13-22(30-6)14-12-21)24(28)16-31-25(29)19-7-9-20(10-8-19)26(3,4)5/h11-15,19-20H,7-10,16H2,1-6H3