1-[(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-chloro-4-methyl-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-chloro-4-methyl-2-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-4-methyl-2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-(2-benzoxy-5-chloro-4-methyl-benzyl)pipecolinic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)CN2CCCCC2C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)CN2CCCCC2C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24ClNO3/c1-15-11-20(26-14-16-7-3-2-4-8-16)17(12-18(15)22)13-23-10-6-5-9-19(23)21(24)25/h2-4,7-8,11-12,19H,5-6,9-10,13-14H2,1H3,(H,24,25)