1-[(5-methylpyridin-2-yl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H26N2O3/c1-18-10-11-23(26-17-18)24(27-14-12-19(13-15-27)25(28)29)20-6-5-9-22(16-20)30-21-7-3-2-4-8-21/h2-11,16-17,19,24H,12-15H2,1H3,(H,28,29)