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

Systemtic Name: 2-azanyl-3-[5-bromanyl-1-(4-phenylbutyl)indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[5-bromo-1-(4-phenylbutyl)indol-3-yl]propanoic acid CAS Name: 2-amino-3-[5-bromo-1-(4-phenylbutyl)-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[5-bromo-1-(4-phenylbutyl)indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[5-bromo-1-(4-phenylbutyl)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)CCCCN2C=C(C3=C2C=CC(=C3)Br)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C=C(C3=C2C=CC(=C3)Br)CC(C(=O)O)N

InChI

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