1-[1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(2,4,5-trimethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-(1-asarylethyl)nipecotic acid Formula: C17H25NO5 MolecularWeight: 323.3841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1OC)OC)OC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1OC)OC)OC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C17H25NO5/c1-11(18-7-5-6-12(10-18)17(19)20)13-8-15(22-3)16(23-4)9-14(13)21-2/h8-9,11-12H,5-7,10H2,1-4H3,(H,19,20)