2-[3-(1-azanylpropan-2-yl)-7-bromanyl-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-(1-azanylpropan-2-yl)-7-bromanyl-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid Openeye Name: 2-[3-(2-amino-1-methyl-ethyl)-7-bromo-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propanoic acid CAS Name: 2-[3-(1-aminopropan-2-yl)-7-bromo-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid IUPAC Name: 2-[3-(1-aminopropan-2-yl)-7-bromo-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methylpropanoic acid Traditional Name: 2-[3-(2-amino-1-methyl-ethyl)-7-bromo-2-(3,5-dimethylphenyl)-1H-indol-5-yl]-2-methyl-propionic acid Formula: C23H27BrN2O2 MolecularWeight: 443.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=CC(=C3N2)Br)C(C)(C)C(=O)O)C(C)CN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=CC(=C3N2)Br)C(C)(C)C(=O)O)C(C)CN)C

InChI

InChI=1S/C23H27BrN2O2/c1-12-6-13(2)8-15(7-12)20-19(14(3)11-25)17-9-16(23(4,5)22(27)28)10-18(24)21(17)26-20/h6-10,14,26H,11,25H2,1-5H3,(H,27,28)