ethyl 2-(1-methyl-4-octadecanoyl-pyrrol-2-yl)ethanoate

Systemtic Name: ethyl 2-(1-methyl-4-octadecanoyl-pyrrol-2-yl)ethanoate Openeye Name: ethyl 2-(1-methyl-4-octadecanoyl-pyrrol-2-yl)acetate CAS Name: 2-[1-methyl-4-(1-oxooctadecyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-methyl-4-octadecanoylpyrrol-2-yl)acetate Traditional Name: 2-(1-methyl-4-stearoyl-pyrrol-2-yl)acetic acid ethyl ester Formula: C27H47NO3 MolecularWeight: 433.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CN(C(=C1)CC(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CN(C(=C1)CC(=O)OCC)C

InChI

InChI=1S/C27H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)24-21-25(28(3)23-24)22-27(30)31-5-2/h21,23H,4-20,22H2,1-3H3