1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide

Systemtic Name: 1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide Openeye Name: 1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide CAS Name: 1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propyl-3-pyrrolecarboxamide IUPAC Name: 1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propylpyrrole-3-carboxamide Traditional Name: 1-cyclooctyl-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C(=C(N1C2CCCCCCC2)C)C(=O)N)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O2/c1-3-13-26-28(22-14-12-19-25(20-22)33-24-17-10-7-11-18-24)27(29(30)32)21(2)31(26)23-15-8-5-4-6-9-16-23/h7,10-12,14,17-20,23H,3-6,8-9,13,15-16H2,1-2H3,(H2,30,32)