1-[1-benzothiophen-3-yl-(5-bromanyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-bromanyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-bromo-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-bromo-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-bromo-2-methoxy-phenyl)methyl]proline Formula: C21H20BrNO3S MolecularWeight: 446.3574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CSC3=CC=CC=C32)N4CCCC4C(=O)O

InChI

InChI=1S/C21H20BrNO3S/c1-26-18-9-8-13(22)11-15(18)20(23-10-4-6-17(23)21(24)25)16-12-27-19-7-3-2-5-14(16)19/h2-3,5,7-9,11-12,17,20H,4,6,10H2,1H3,(H,24,25)