(E)-7-(1,3-benzodioxol-5-yl)-7-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: (E)-7-(1,3-benzodioxol-5-yl)-7-pyridin-3-yl-hept-6-enoic acid Openeye Name: (E)-7-(1,3-benzodioxol-5-yl)-7-(3-pyridyl)hept-6-enoic acid CAS Name: (E)-7-(1,3-benzodioxol-5-yl)-7-(3-pyridinyl)-6-heptenoic acid IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)-7-pyridin-3-ylhept-6-enoic acid Traditional Name: (E)-7-(1,3-benzodioxol-5-yl)-7-(3-pyridyl)hept-6-enoic acid Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=CCCCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C(=C\CCCCC(=O)O)/C3=CN=CC=C3

InChI

InChI=1S/C19H19NO4/c21-19(22)7-3-1-2-6-16(15-5-4-10-20-12-15)14-8-9-17-18(11-14)24-13-23-17/h4-6,8-12H,1-3,7,13H2,(H,21,22)/b16-6+