2-[3-(2-azanylethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-(2-azanylethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid Openeye Name: 2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid CAS Name: 2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid IUPAC Name: 2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid Traditional Name: 2-[3-(2-aminoethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propionic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)O)CCN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)(C)C(=O)O)CCN)C

InChI

InChI=1S/C22H26N2O2/c1-13-9-14(2)11-15(10-13)20-17(7-8-23)18-12-16(5-6-19(18)24-20)22(3,4)21(25)26/h5-6,9-12,24H,7-8,23H2,1-4H3,(H,25,26)