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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-4-methyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-4-methyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-chloro-2-methoxy-4-methyl-benzyl)nipecotic acid Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)CN2CCCC(C2)C(=O)O)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)CN2CCCC(C2)C(=O)O)OC

InChI

InChI=1S/C15H20ClNO3/c1-10-6-14(20-2)12(7-13(10)16)9-17-5-3-4-11(8-17)15(18)19/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,19)