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

Systemtic Name: 1-[1-benzothiophen-2-yl-(2-bromanyl-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2-bromo-4,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2-bromo-4,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O)Br)OC

InChI

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