3-[5-(4-methylphenyl)-1-propyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[5-(4-methylphenyl)-1-propyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-propyl-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(4-methylphenyl)-1-propyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(4-methylphenyl)-1-propylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-propyl-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC=C1C2=CC=C(C=C2)C)CCC(=O)O

Isomeric SMILES

CCCN1C(=CC=C1C2=CC=C(C=C2)C)CCC(=O)O

InChI

InChI=1S/C17H21NO2/c1-3-12-18-15(9-11-17(19)20)8-10-16(18)14-6-4-13(2)5-7-14/h4-8,10H,3,9,11-12H2,1-2H3,(H,19,20)