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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-phenoxyphenyl)-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-4-(3-phenoxyphenyl)-1-piperonyl-pyrrole-3-carboxamide Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O4/c1-3-4-13-25-29(22-9-8-12-24(17-22)36-23-10-6-5-7-11-23)28(30(31)33)20(2)32(25)18-21-14-15-26-27(16-21)35-19-34-26/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H2,31,33)