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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)Br)OC

InChI

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