1-[(2,3-dimethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-phenyl-methyl]nipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-25-18-12-6-11-17(20(18)26-2)19(15-8-4-3-5-9-15)22-13-7-10-16(14-22)21(23)24/h3-6,8-9,11-12,16,19H,7,10,13-14H2,1-2H3,(H,23,24)