1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]pipecolinic acid Formula: C23H24BrNO4S MolecularWeight: 490.40996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)Br)OC

InChI

InChI=1S/C23H24BrNO4S/c1-28-19-11-15(17(24)12-20(19)29-2)22(25-10-6-5-8-18(25)23(26)27)16-13-30-21-9-4-3-7-14(16)21/h3-4,7,9,11-13,18,22H,5-6,8,10H2,1-2H3,(H,26,27)