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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-3-phenyl-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-3-phenyl-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-3-phenylbutanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-3-phenylbutanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-cyano-3-phenyl-butyric acid Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C#N)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H15NO4/c19-10-15(13-6-7-16-17(8-13)23-11-22-16)14(9-18(20)21)12-4-2-1-3-5-12/h1-8,14-15H,9,11H2,(H,20,21)