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

Systemtic Name: methyl 3-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[[4-[dimethylamino(oxo)methyl]phenyl]methyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[[4-(dimethylcarbamoyl)phenyl]methyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-[4-(dimethylcarbamoyl)benzyl]-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C38H60N2O4 MolecularWeight: 608.894

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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(=O)N(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C38H60N2O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35(41)37-30(2)34(27-28-36(42)44-6)40(31(37)3)29-32-23-25-33(26-24-32)38(43)39(4)5/h23-26H,7-22,27-29H2,1-6H3