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

Systemtic Name: 5-[4-[[1,3-benzodioxol-5-ylcarbonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[[1,3-benzodioxole-5-carbonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[[[1,3-benzodioxol-5-yl(oxo)methyl]-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[[1,3-benzodioxole-5-carbonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[4-[[p-anisyl(piperonyloyl)amino]methyl]phenyl]benzoic acid Formula: C30H25NO7 MolecularWeight: 511.522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC(=C(C=C3)O)C(=O)O)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC(=C(C=C3)O)C(=O)O)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H25NO7/c1-36-24-10-4-20(5-11-24)17-31(29(33)23-9-13-27-28(15-23)38-18-37-27)16-19-2-6-21(7-3-19)22-8-12-26(32)25(14-22)30(34)35/h2-15,32H,16-18H2,1H3,(H,34,35)