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

Systemtic Name: [(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methyl-butyl)-1-ethyl-5-phenyl-pyrrol-3-yl]pent-1-enyl] 5-phenylpentanoate Openeye Name: [(Z)-1-[2-(3-acetamido-4-acetoxy-3-methyl-butyl)-1-ethyl-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-ethyl-5-phenyl-3-pyrrolyl]pent-1-enyl] ester IUPAC Name: [(Z)-1-[2-(3-acetamido-4-acetyloxy-3-methylbutyl)-1-ethyl-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-ethyl-5-phenyl-pyrrol-3-yl]pent-1-enyl] ester Formula: C37H48N2O5 MolecularWeight: 600.78742

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H48N2O5/c1-6-8-22-35(44-36(42)23-16-15-19-30-17-11-9-12-18-30)32-26-34(31-20-13-10-14-21-31)39(7-2)33(32)24-25-37(5,38-28(3)40)27-43-29(4)41/h9-14,17-18,20-22,26H,6-8,15-16,19,23-25,27H2,1-5H3,(H,38,40)/b35-22-