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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(C1=C(N(C(=C1)C2=CC=CC=C2)C)CCC(C)(COC(=O)C)NC(=O)C)OC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CCC/C=C(/C1=C(N(C(=C1)C2=CC=CC=C2)C)CCC(C)(COC(=O)C)NC(=O)C)\OC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C36H46N2O5/c1-6-7-21-34(43-35(41)22-15-14-18-29-16-10-8-11-17-29)31-25-33(30-19-12-9-13-20-30)38(5)32(31)23-24-36(4,37-27(2)39)26-42-28(3)40/h8-13,16-17,19-21,25H,6-7,14-15,18,22-24,26H2,1-5H3,(H,37,39)/b34-21-