1-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperidine-4-carboxylic acid Openeye Name: 1-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperidine-4-carboxylic acid CAS Name: 1-[3-(5-benzo[d][1,3]benzodioxocinylidene)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperidine-4-carboxylic acid Traditional Name: 1-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)isonipecotic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1C(=O)O)CCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42

InChI

InChI=1S/C23H25NO4/c25-23(26)17-11-14-24(15-12-17)13-5-8-18-19-6-1-3-9-21(19)27-16-28-22-10-4-2-7-20(18)22/h1-4,6-10,17H,5,11-16H2,(H,25,26)