ethyl 2-(3-dodecyl-1,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoate

Systemtic Name: ethyl 2-(3-dodecyl-1,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)ethanoate Openeye Name: ethyl 2-(3-dodecyl-1,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)acetate CAS Name: 2-[3-dodecyl-1,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-dodecyl-1,5-dimethyl-4-octadecanoylpyrrol-2-yl)acetate Traditional Name: 2-(3-lauryl-1,5-dimethyl-4-stearoyl-pyrrol-2-yl)acetic acid ethyl ester Formula: C40H73NO3 MolecularWeight: 616.01252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CCCCCCCCCCCC)CC(=O)OCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1CCCCCCCCCCCC)CC(=O)OCC)C)C

InChI

InChI=1S/C40H73NO3/c1-6-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-38(42)40-35(4)41(5)37(34-39(43)44-8-3)36(40)32-30-28-26-24-18-16-14-12-10-7-2/h6-34H2,1-5H3