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

Systemtic Name: 3-[1-(3-chloranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-(3-chloro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]propionic acid Formula: C16H18ClNO2 MolecularWeight: 291.77262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)CCC(=O)O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)CCC(=O)O)C)Cl

InChI

InChI=1S/C16H18ClNO2/c1-10-4-6-14(9-15(10)17)18-11(2)8-13(12(18)3)5-7-16(19)20/h4,6,8-9H,5,7H2,1-3H3,(H,19,20)