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1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[benzothiophen-2-yl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid
Formula: C24H27NO5S
MolecularWeight: 441.53988
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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)OC)OC


Isomeric SMILES

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


InChI

InChI=1S/C24H27NO5S/c1-28-18-9-8-17(22(29-2)23(18)30-3)21(25-12-10-15(11-13-25)24(26)27)20-14-16-6-4-5-7-19(16)31-20/h4-9,14-15,21H,10-13H2,1-3H3,(H,26,27)


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