4-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]butanoic acid Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]butanoic acid CAS Name: 4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]butanoic acid Traditional Name: 4-[4-(piperonyloylamino)phenyl]butyric acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C18H17NO5/c20-17(21)3-1-2-12-4-7-14(8-5-12)19-18(22)13-6-9-15-16(10-13)24-11-23-15/h4-10H,1-3,11H2,(H,19,22)(H,20,21)