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

Systemtic Name: ethyl 2-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)ethanoate Openeye Name: ethyl 2-(3,5-dimethyl-4-octadecanoyl-1-propyl-pyrrol-2-yl)acetate CAS Name: 2-[3,5-dimethyl-4-(1-oxooctadecyl)-1-propyl-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethyl-4-octadecanoyl-1-propylpyrrol-2-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-propyl-4-stearoyl-pyrrol-2-yl)acetic acid ethyl ester Formula: C31H55NO3 MolecularWeight: 489.7733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)OCC)CCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)OCC)CCC)C

InChI

InChI=1S/C31H55NO3/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(33)31-26(4)28(25-30(34)35-8-3)32(24-7-2)27(31)5/h6-25H2,1-5H3