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

Systemtic Name: methyl 3-[1-[(4-aminocarbonylphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(4-carbamoylbenzyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid methyl ester Formula: C36H56N2O4 MolecularWeight: 580.84084

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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

Isomeric SMILES

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

InChI

InChI=1S/C36H56N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(39)35-28(2)32(25-26-34(40)42-4)38(29(35)3)27-30-21-23-31(24-22-30)36(37)41/h21-24H,5-20,25-27H2,1-4H3,(H2,37,41)