1-[(5-chloranyl-3-methyl-2-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-3-methyl-2-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-chloro-3-methyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-3-methyl-2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-3-methyl-2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-chloro-3-methyl-benzyl)nipecotic acid Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)CN3CCCC(C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)CN3CCCC(C3)C(=O)O)Cl

InChI

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