3-(1,3,5-trimethyl-4-nonanoyl-pyrrol-2-yl)propanoic acid

Systemtic Name: 3-(1,3,5-trimethyl-4-nonanoyl-pyrrol-2-yl)propanoic acid Openeye Name: 3-(1,3,5-trimethyl-4-nonanoyl-pyrrol-2-yl)propanoic acid CAS Name: 3-[1,3,5-trimethyl-4-(1-oxononyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-(1,3,5-trimethyl-4-nonanoylpyrrol-2-yl)propanoic acid Traditional Name: 3-(1,3,5-trimethyl-4-pelargonyl-pyrrol-2-yl)propionic acid Formula: C19H31NO3 MolecularWeight: 321.45434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C)C

Isomeric SMILES

CCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)O)C)C

InChI

InChI=1S/C19H31NO3/c1-5-6-7-8-9-10-11-17(21)19-14(2)16(12-13-18(22)23)20(4)15(19)3/h5-13H2,1-4H3,(H,22,23)