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

Systemtic Name: 5-butyl-2-methyl-1-(3-oxidanylpropyl)-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Openeye Name: 5-butyl-1-(3-hydroxypropyl)-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-(3-hydroxypropyl)-2-methyl-4-(3-phenoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-(3-hydroxypropyl)-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3-hydroxypropyl)-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3/c1-3-4-14-22-24(23(25(26)29)18(2)27(22)15-9-16-28)19-10-8-13-21(17-19)30-20-11-6-5-7-12-20/h5-8,10-13,17,28H,3-4,9,14-16H2,1-2H3,(H2,26,29)