1-[3-[3,7-bis(chloranyl)benzo[d][1,3]benzodioxocin-5-ylidene]propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-[3,7-bis(chloranyl)benzo[d][1,3]benzodioxocin-5-ylidene]propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(3,7-dichlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(3,7-dichloro-5-benzo[d][1,3]benzodioxocinylidene)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(3,7-dichlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(3,7-dichlorobenzo[d][1,3]benzodioxocin-5-ylidene)propyl]nipecotic acid Formula: C23H23Cl2NO4 MolecularWeight: 448.33902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC=C2C3=C(C=CC(=C3)Cl)OCOC4=C2C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC=C2C3=C(C=CC(=C3)Cl)OCOC4=C2C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H23Cl2NO4/c24-16-5-7-21-19(11-16)18(20-12-17(25)6-8-22(20)30-14-29-21)4-2-10-26-9-1-3-15(13-26)23(27)28/h4-8,11-12,15H,1-3,9-10,13-14H2,(H,27,28)