ethyl 2-[1,3-dimethyl-4-octadecanoyl-5-(phenylmethyl)pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[1,3-dimethyl-4-octadecanoyl-5-(phenylmethyl)pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-(5-benzyl-1,3-dimethyl-4-octadecanoyl-pyrrol-2-yl)acetate CAS Name: 2-[1,3-dimethyl-4-(1-oxooctadecyl)-5-(phenylmethyl)-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-benzyl-1,3-dimethyl-4-octadecanoylpyrrol-2-yl)acetate Traditional Name: 2-(5-benzyl-1,3-dimethyl-4-stearoyl-pyrrol-2-yl)acetic acid ethyl ester Formula: C35H55NO3 MolecularWeight: 537.8161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H55NO3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33(37)35-29(3)31(28-34(38)39-6-2)36(4)32(35)27-30-24-21-20-22-25-30/h20-22,24-25H,5-19,23,26-28H2,1-4H3