methyl 4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2,4-dimethyl-3-octadecanoyl-pyrrol-1-yl)methyl]benzoate CAS Name: 4-[[2,4-dimethyl-3-(1-oxooctadecyl)-1-pyrrolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,4-dimethyl-3-octadecanoylpyrrol-1-yl)methyl]benzoate Traditional Name: 4-[(2,4-dimethyl-3-stearoyl-pyrrol-1-yl)methyl]benzoic acid methyl ester Formula: C33H51NO3 MolecularWeight: 509.76294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C=C1C)CC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C33H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31(35)32-27(2)25-34(28(32)3)26-29-21-23-30(24-22-29)33(36)37-4/h21-25H,5-20,26H2,1-4H3