1-[4-(2-phenethyl-6-propoxy-phenoxy)butyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(2-phenethyl-6-propoxy-phenoxy)butyl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(2-phenethyl-6-propoxy-phenoxy)butyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(2-phenethyl-6-propoxyphenoxy)butyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(2-phenethyl-6-propoxyphenoxy)butyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(2-phenethyl-6-propoxy-phenoxy)butyl]isonipecotic acid Formula: C27H37NO4 MolecularWeight: 439.58698

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1OCCCCN2CCC(CC2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1OCCCCN2CCC(CC2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H37NO4/c1-2-20-31-25-12-8-11-23(14-13-22-9-4-3-5-10-22)26(25)32-21-7-6-17-28-18-15-24(16-19-28)27(29)30/h3-5,8-12,24H,2,6-7,13-21H2,1H3,(H,29,30)