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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)N4CCCCC4C(=O)O

InChI

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