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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1CCC(C)(COC(=O)C)NC(=O)C)C(=CCCCC2=CC=CC=C2)OC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CCN1C=CC(=C1CCC(C)(COC(=O)C)NC(=O)C)/C(=C/CCCC2=CC=CC=C2)/OC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C37H48N2O5/c1-5-39-27-25-33(34(39)24-26-37(4,38-29(2)40)28-43-30(3)41)35(22-14-12-20-31-16-8-6-9-17-31)44-36(42)23-15-13-21-32-18-10-7-11-19-32/h6-11,16-19,22,25,27H,5,12-15,20-21,23-24,26,28H2,1-4H3,(H,38,40)/b35-22-