2-[methyl-[3-(1-phenyl-3H-2-benzothiophen-1-yl)propyl]amino]propanoic acid

Systemtic Name: 2-[methyl-[3-(1-phenyl-3H-2-benzothiophen-1-yl)propyl]amino]propanoic acid Openeye Name: 2-[methyl-[3-(1-phenyl-3H-2-benzothiophen-1-yl)propyl]amino]propanoic acid CAS Name: 2-[methyl-[3-(1-phenyl-3H-2-benzothiophen-1-yl)propyl]amino]propanoic acid IUPAC Name: 2-[methyl-[3-(1-phenyl-3H-2-benzothiophen-1-yl)propyl]amino]propanoic acid Traditional Name: 2-[methyl-[3-(1-phenyl-3H-isobenzothiophen-1-yl)propyl]amino]propionic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C)CCCC1(C2=CC=CC=C2CS1)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N(C)CCCC1(C2=CC=CC=C2CS1)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2S/c1-16(20(23)24)22(2)14-8-13-21(18-10-4-3-5-11-18)19-12-7-6-9-17(19)15-25-21/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,23,24)