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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)O)OCCC3=CC=CC=C3

InChI

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