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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-19-10-12-23(28-16-19)26(29-14-6-9-22(17-29)27(30)31)21-11-13-24(25(15-21)32-2)33-18-20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16,22,26H,6,9,14,17-18H2,1-2H3,(H,30,31)