2-[4-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperazin-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperazin-1-yl]pyridine-3-carboxylic acid Openeye Name: 2-[4-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperazin-1-yl]pyridine-3-carboxylic acid CAS Name: 2-[4-[3-(5-benzo[d][1,3]benzodioxocinylidene)propyl]-1-piperazinyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperazin-1-yl]pyridine-3-carboxylic acid Traditional Name: 2-[4-(3-benzo[d][1,3]benzodioxocin-5-ylidenepropyl)piperazino]nicotinic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42)C5=C(C=CC=N5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC=C2C3=CC=CC=C3OCOC4=CC=CC=C42)C5=C(C=CC=N5)C(=O)O

InChI

InChI=1S/C27H27N3O4/c31-27(32)23-9-5-13-28-26(23)30-17-15-29(16-18-30)14-6-10-20-21-7-1-3-11-24(21)33-19-34-25-12-4-2-8-22(20)25/h1-5,7-13H,6,14-19H2,(H,31,32)