(phenylmethyl) 2-(2,3,5-trimethyl-4-octadecanoyl-pyrrol-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2,3,5-trimethyl-4-octadecanoyl-pyrrol-1-yl)ethanoate Openeye Name: benzyl 2-(2,3,5-trimethyl-4-octadecanoyl-pyrrol-1-yl)acetate CAS Name: 2-[2,3,5-trimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2,3,5-trimethyl-4-octadecanoylpyrrol-1-yl)acetate Traditional Name: 2-(2,3,5-trimethyl-4-stearoyl-pyrrol-1-yl)acetic acid benzyl ester Formula: C34H53NO3 MolecularWeight: 523.78952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)C)CC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)C)CC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C34H53NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(36)34-28(2)29(3)35(30(34)4)26-33(37)38-27-31-23-20-19-21-24-31/h19-21,23-24H,5-18,22,25-27H2,1-4H3