4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid

Systemtic Name: 4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid Openeye Name: 4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid CAS Name: 4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid IUPAC Name: 4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid Traditional Name: 4-[3-(1,3-benzodioxol-5-ylamino)propoxy]benzoic acid Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NCCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17NO5/c19-17(20)12-2-5-14(6-3-12)21-9-1-8-18-13-4-7-15-16(10-13)23-11-22-15/h2-7,10,18H,1,8-9,11H2,(H,19,20)