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

Systemtic Name: 2-[3-(1-azanylpropan-2-yl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid Openeye Name: 2-[3-(2-amino-1-methyl-ethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid CAS Name: 2-[3-(1-aminopropan-2-yl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid IUPAC Name: 2-[3-(1-aminopropan-2-yl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid Traditional Name: 2-[3-(2-amino-1-methyl-ethyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propionic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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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)C(C)CN)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2/c1-13-8-14(2)10-16(9-13)21-20(15(3)12-24)18-11-17(6-7-19(18)25-21)23(4,5)22(26)27/h6-11,15,25H,12,24H2,1-5H3,(H,26,27)