1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenethyloxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenethyloxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-(3-methoxy-4-phenethyloxy-benzyl)pipecolinic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCCC2C(=O)O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCCC2C(=O)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4/c1-26-21-15-18(16-23-13-6-5-9-19(23)22(24)25)10-11-20(21)27-14-12-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,19H,5-6,9,12-14,16H2,1H3,(H,24,25)