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

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-(3-phenoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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