5-butyl-2-methyl-1-(3-methylbutyl)-4-(3-phenoxyphenyl)pyrrole-3-carboxamide

Systemtic Name: 5-butyl-2-methyl-1-(3-methylbutyl)-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-isopentyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide CAS Name: 5-butyl-2-methyl-1-(3-methylbutyl)-4-(3-phenoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-2-methyl-1-(3-methylbutyl)-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-isoamyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Formula: C27H34N2O2 MolecularWeight: 418.57106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O2/c1-5-6-15-24-26(25(27(28)30)20(4)29(24)17-16-19(2)3)21-11-10-14-23(18-21)31-22-12-8-7-9-13-22/h7-14,18-19H,5-6,15-17H2,1-4H3,(H2,28,30)