2-azanyl-3-[5-bromanyl-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-bromanyl-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[5-bromo-2-(3-phenylpropyl)-1H-indol-3-yl]propionic acid Formula: C20H21BrN2O2 MolecularWeight: 401.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N

InChI

InChI=1S/C20H21BrN2O2/c21-14-9-10-19-15(11-14)16(12-17(22)20(24)25)18(23-19)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,23H,4,7-8,12,22H2,(H,24,25)