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

Systemtic Name: 3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]propanoic acid CAS Name: 3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]propanoic acid Traditional Name: 3-[1-(2,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]propionic acid Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-11-5-7-16(12(2)9-11)18-13(3)10-15(14(18)4)6-8-17(19)20/h5,7,9-10H,6,8H2,1-4H3,(H,19,20)