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

Systemtic Name: [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)but-1-enyl] 4-(4-methylphenyl)butanoate Openeye Name: [(E)-1-[5-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(p-tolyl)but-1-enyl] 4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)butanoic acid [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(4-methylphenyl)but-1-enyl] ester IUPAC Name: [(E)-1-[5-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(4-methylphenyl)but-1-enyl] 4-(4-methylphenyl)butanoate Traditional Name: 4-(p-tolyl)butyric acid [(E)-1-[5-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(p-tolyl)but-1-enyl] ester Formula: C36H46N2O5 MolecularWeight: 586.76084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)OC(=CCCC2=CC=C(C=C2)C)C3=CC=C(N3C)CCC(C)(COC(=O)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)O/C(=C/CCC2=CC=C(C=C2)C)/C3=CC=C(N3C)CCC(C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C36H46N2O5/c1-26-13-17-30(18-14-26)9-7-11-34(43-35(41)12-8-10-31-19-15-27(2)16-20-31)33-22-21-32(38(33)6)23-24-36(5,37-28(3)39)25-42-29(4)40/h11,13-22H,7-10,12,23-25H2,1-6H3,(H,37,39)/b34-11+