5-[4-[[1,3-benzodioxol-5-ylcarbonyl-(phenylmethyl)amino]methyl]phenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[[1,3-benzodioxol-5-ylcarbonyl-(phenylmethyl)amino]methyl]phenyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[[1,3-benzodioxole-5-carbonyl(benzyl)amino]methyl]phenyl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-(phenylmethyl)amino]methyl]phenyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[[1,3-benzodioxole-5-carbonyl(benzyl)amino]methyl]phenyl]-2-hydroxybenzoic acid Traditional Name: 5-[4-[[benzyl(piperonyloyl)amino]methyl]phenyl]-2-hydroxy-benzoic acid Formula: C29H23NO6 MolecularWeight: 481.49602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC(=C(C=C5)O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC(=C(C=C5)O)C(=O)O

InChI

InChI=1S/C29H23NO6/c31-25-12-10-22(14-24(25)29(33)34)21-8-6-20(7-9-21)17-30(16-19-4-2-1-3-5-19)28(32)23-11-13-26-27(15-23)36-18-35-26/h1-15,31H,16-18H2,(H,33,34)