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

Systemtic Name: 3-[1-[(4-aminocarbonylphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-(1-oxooctadecyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[(4-carbamoylphenyl)methyl]-3,5-dimethyl-4-octadecanoylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbamoylbenzyl)-3,5-dimethyl-4-stearoyl-pyrrol-2-yl]propionic acid Formula: C35H54N2O4 MolecularWeight: 566.81426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H54N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(38)34-27(2)31(24-25-33(39)40)37(28(34)3)26-29-20-22-30(23-21-29)35(36)41/h20-23H,4-19,24-26H2,1-3H3,(H2,36,41)(H,39,40)