1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-(3-phenoxyphenyl)-5-propyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-(3-phenoxyphenyl)-5-propyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-4-(3-phenoxyphenyl)-5-propylpyrrole-3-carboxamide Traditional Name: 2-methyl-4-(3-phenoxyphenyl)-1-piperonyl-5-propyl-pyrrole-3-carboxamide Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O4/c1-3-8-24-28(21-9-7-12-23(16-21)35-22-10-5-4-6-11-22)27(29(30)32)19(2)31(24)17-20-13-14-25-26(15-20)34-18-33-25/h4-7,9-16H,3,8,17-18H2,1-2H3,(H2,30,32)