4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]piperidine-1-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]piperidine-1-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]piperidine-1-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]-1-piperidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-cyanophenyl)methoxy]piperidine-1-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(2-cyanobenzyl)oxy-piperidine-1-carboxylic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C21H20N2O5/c22-10-15-3-1-2-4-16(15)12-26-20-11-23(21(24)25)8-7-17(20)14-5-6-18-19(9-14)28-13-27-18/h1-6,9,17,20H,7-8,11-13H2,(H,24,25)