2-azanyl-3-[5-bromanyl-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[5-bromanyl-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[5-bromo-2-(4-phenylbutyl)-1H-indol-3-yl]propionic acid Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(C3=C(N2)C=CC(=C3)Br)CC(C(=O)O)N

InChI

InChI=1S/C21H23BrN2O2/c22-15-10-11-20-16(12-15)17(13-18(23)21(25)26)19(24-20)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-12,18,24H,4-5,8-9,13,23H2,(H,25,26)