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

Systemtic Name: 3-[3,5-dimethyl-4-octadecanoyl-1-(phenylmethyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-(1-benzyl-3,5-dimethyl-4-octadecanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[3,5-dimethyl-4-(1-oxooctadecyl)-1-(phenylmethyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1-benzyl-3,5-dimethyl-4-octadecanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1-benzyl-3,5-dimethyl-4-stearoyl-pyrrol-2-yl)propionic acid Formula: C34H53NO3 MolecularWeight: 523.78952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H53NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(36)34-28(2)31(25-26-33(37)38)35(29(34)3)27-30-22-19-18-20-23-30/h18-20,22-23H,4-17,21,24-27H2,1-3H3,(H,37,38)