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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CC(=C2C)CCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CC(=C2C)CCC(=O)O)C

InChI

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