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1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name:1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Openeye Name:1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CAS Name:1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
Traditional Name:1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]pipecolinic acid
Formula: C23H25NO4S
MolecularWeight: 411.5139
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O


Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O


InChI

InChI=1S/C23H25NO4S/c1-27-19-11-7-9-16(22(19)28-2)21(24-13-6-5-10-18(24)23(25)26)17-14-29-20-12-4-3-8-15(17)20/h3-4,7-9,11-12,14,18,21H,5-6,10,13H2,1-2H3,(H,25,26)


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