1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-ethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-m-phenetyl-methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=C(C(=CC=C2)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO5/c1-4-29-18-8-5-7-17(15-18)21(24-13-11-16(12-14-24)23(25)26)19-9-6-10-20(27-2)22(19)28-3/h5-10,15-16,21H,4,11-14H2,1-3H3,(H,25,26)