[(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pent-1-enyl] 5-phenylpentanoate

Systemtic Name: [(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pent-1-enyl] 5-phenylpentanoate Openeye Name: [(Z)-1-[2-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pent-1-enyl] 5-phenylpentanoate CAS Name: 5-phenylpentanoic acid [(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methyl-3-pyrrolyl]-5-phenylpent-1-enyl] ester IUPAC Name: [(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-methylpyrrol-3-yl]-5-phenylpent-1-enyl] 5-phenylpentanoate Traditional Name: 5-phenylvaleric acid [(Z)-1-[2-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-methyl-pyrrol-3-yl]-5-phenyl-pent-1-enyl] ester Formula: C36H46N2O5 MolecularWeight: 586.76084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CCC1=C(C=CN1C)C(=CCCCC2=CC=CC=C2)OC(=O)CCCCC3=CC=CC=C3)COC(=O)C

Isomeric SMILES

CC(=O)NC(C)(CCC1=C(C=CN1C)/C(=C/CCCC2=CC=CC=C2)/OC(=O)CCCCC3=CC=CC=C3)COC(=O)C

InChI

InChI=1S/C36H46N2O5/c1-28(39)37-36(3,27-42-29(2)40)25-23-33-32(24-26-38(33)4)34(21-13-11-19-30-15-7-5-8-16-30)43-35(41)22-14-12-20-31-17-9-6-10-18-31/h5-10,15-18,21,24,26H,11-14,19-20,22-23,25,27H2,1-4H3,(H,37,39)/b34-21-