2-oxidanyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 2-oxidanyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-hydroxy-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-hydroxy-4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-hydroxy-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-hydroxy-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)O)OC1CNCC(C4=CN=CC=C4)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)O)OC1CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C24H24N2O5/c27-21-11-16(4-7-20(21)24(29)30)15-5-8-23-17(10-15)3-6-19(31-23)13-26-14-22(28)18-2-1-9-25-12-18/h1-2,4-5,7-12,19,22,26-28H,3,6,13-14H2,(H,29,30)