tert-butyl 5-[4,4-dimethyl-2,5-bis(oxidanylidene)-1-phenyl-hexyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-[4,4-dimethyl-2,5-bis(oxidanylidene)-1-phenyl-hexyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(4,4-dimethyl-2,5-dioxo-1-phenyl-hexyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-(4,4-dimethyl-2,5-dioxo-1-phenylhexyl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4,4-dimethyl-2,5-dioxo-1-phenylhexyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(2,5-diketo-4,4-dimethyl-1-phenyl-hexyl)-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C2=CC=CC=C2)C(=O)CC(C)(C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C2=CC=CC=C2)C(=O)CC(C)(C)C(=O)C

InChI

InChI=1S/C25H33NO4/c1-15-16(2)22(23(29)30-24(4,5)6)26-21(15)20(18-12-10-9-11-13-18)19(28)14-25(7,8)17(3)27/h9-13,20,26H,14H2,1-8H3