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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2C(C)C)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2C(C)C)CCC(=O)O

InChI

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