[(E)-1-[5-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-cyanophenyl)but-1-enyl] 4-(4-cyanophenyl)butanoate

Systemtic Name: [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-cyanophenyl)but-1-enyl] 4-(4-cyanophenyl)butanoate Openeye Name: [(E)-1-[5-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-cyanophenyl)but-1-enyl] 4-(4-cyanophenyl)butanoate CAS Name: 4-(4-cyanophenyl)butanoic acid [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(4-cyanophenyl)but-1-enyl] ester IUPAC Name: [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(4-cyanophenyl)but-1-enyl] 4-(4-cyanophenyl)butanoate Traditional Name: 4-(4-cyanophenyl)butyric acid [(E)-1-[5-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-cyanophenyl)but-1-enyl] ester Formula: C36H40N4O5 MolecularWeight: 608.7266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CCC1=CC=C(N1C)C(=CCCC2=CC=C(C=C2)C#N)OC(=O)CCCC3=CC=C(C=C3)C#N)COC(=O)C

Isomeric SMILES

CC(=O)NC(C)(CCC1=CC=C(N1C)/C(=C\CCC2=CC=C(C=C2)C#N)/OC(=O)CCCC3=CC=C(C=C3)C#N)COC(=O)C

InChI

InChI=1S/C36H40N4O5/c1-26(41)39-36(3,25-44-27(2)42)22-21-32-19-20-33(40(32)4)34(9-5-7-28-11-15-30(23-37)16-12-28)45-35(43)10-6-8-29-13-17-31(24-38)18-14-29/h9,11-20H,5-8,10,21-22,25H2,1-4H3,(H,39,41)/b34-9+