N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-(2-bromophenyl)-3-cyano-pyrrole-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-(2-bromophenyl)-3-cyano-pyrrole-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-(2-bromophenyl)-3-cyano-pyrrole-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-(2-bromophenyl)-3-cyano-2-pyrrolecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-(2-bromophenyl)-3-cyanopyrrole-2-carboxamide Traditional Name: 1-(2-bromophenyl)-3-cyano-N-[4-(2,4-ditert-amylphenoxy)butyl]pyrrole-2-carboxamide Formula: C32H40BrN3O2 MolecularWeight: 578.5829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C=CN2C3=CC=CC=C3Br)C#N)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C=CN2C3=CC=CC=C3Br)C#N)C(C)(C)CC

InChI

InChI=1S/C32H40BrN3O2/c1-7-31(3,4)24-15-16-28(25(21-24)32(5,6)8-2)38-20-12-11-18-35-30(37)29-23(22-34)17-19-36(29)27-14-10-9-13-26(27)33/h9-10,13-17,19,21H,7-8,11-12,18,20H2,1-6H3,(H,35,37)