methyl 3-[1-[(4-cyanophenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[1-[(4-cyanophenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-[(4-cyanophenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[(4-cyanophenyl)methyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[(4-cyanophenyl)methyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-cyanobenzyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C36H54N2O3 MolecularWeight: 562.82556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H54N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(39)36-29(2)33(25-26-35(40)41-4)38(30(36)3)28-32-23-21-31(27-37)22-24-32/h21-24H,5-20,25-26,28H2,1-4H3