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

Systemtic Name: 2-methyl-1-(3-methylbutyl)-5-pentyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Openeye Name: 1-isopentyl-2-methyl-5-pentyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide CAS Name: 2-methyl-1-(3-methylbutyl)-5-pentyl-4-(3-phenoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-(3-methylbutyl)-5-pentyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Traditional Name: 5-amyl-1-isoamyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C28H36N2O2/c1-5-6-8-16-25-27(26(28(29)31)21(4)30(25)18-17-20(2)3)22-12-11-15-24(19-22)32-23-13-9-7-10-14-23/h7,9-15,19-20H,5-6,8,16-18H2,1-4H3,(H2,29,31)