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

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

Systemtic Name:1-[pyridin-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[2-pyridyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[2-pyridinyl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[pyridin-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[2-pyridyl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid
Formula: C21H26N2O5
MolecularWeight: 386.44154
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC


Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC


InChI

InChI=1S/C21H26N2O5/c1-26-17-8-7-15(19(27-2)20(17)28-3)18(16-6-4-5-11-22-16)23-12-9-14(10-13-23)21(24)25/h4-8,11,14,18H,9-10,12-13H2,1-3H3,(H,24,25)


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