1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]nipecotic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C(=C2)Cl)OCCO3)C(=O)O

InChI

InChI=1S/C15H18ClNO4/c16-12-6-10(7-13-14(12)21-5-4-20-13)8-17-3-1-2-11(9-17)15(18)19/h6-7,11H,1-5,8-9H2,(H,18,19)