3-[2-(4-propan-2-ylphenyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-propan-2-ylphenyl)-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-(4-isopropylphenyl)-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-(4-propan-2-ylphenyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-(4-propan-2-ylphenyl)-1H-indol-3-yl]propanoic acid Traditional Name: 3-(2-p-cumenyl-1H-indol-3-yl)propionic acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)O

InChI

InChI=1S/C20H21NO2/c1-13(2)14-7-9-15(10-8-14)20-17(11-12-19(22)23)16-5-3-4-6-18(16)21-20/h3-10,13,21H,11-12H2,1-2H3,(H,22,23)