4-(4-chlorophenyl)-3-(naphthalen-2-ylmethoxy)-5-pentan-3-yl-piperidine-1-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-3-(naphthalen-2-ylmethoxy)-5-pentan-3-yl-piperidine-1-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-3-(1-ethylpropyl)-5-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 4-(4-chlorophenyl)-3-(2-naphthalenylmethoxy)-5-pentan-3-yl-1-piperidinecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-3-(naphthalen-2-ylmethoxy)-5-pentan-3-ylpiperidine-1-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-3-(1-ethylpropyl)-5-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C28H32ClNO3 MolecularWeight: 466.01158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1CN(CC(C1C2=CC=C(C=C2)Cl)OCC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CCC(CC)C1CN(CC(C1C2=CC=C(C=C2)Cl)OCC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C28H32ClNO3/c1-3-20(4-2)25-16-30(28(31)32)17-26(27(25)22-11-13-24(29)14-12-22)33-18-19-9-10-21-7-5-6-8-23(21)15-19/h5-15,20,25-27H,3-4,16-18H2,1-2H3,(H,31,32)