3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-phenylbutanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-phenyl-butyric acid Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C17H16O4/c18-17(19)10-14(8-12-4-2-1-3-5-12)13-6-7-15-16(9-13)21-11-20-15/h1-7,9,14H,8,10-11H2,(H,18,19)