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

Systemtic Name: 2,6-dimethyl-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2,6-dimethyl-benzoic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2,6-dimethylbenzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2,6-dimethylbenzoic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2,6-dimethyl-benzoic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)O)C)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)O)C)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C26H28N2O4/c1-16-10-21(11-17(2)25(16)26(30)31)18-6-8-24-19(12-18)5-7-22(32-24)14-28-15-23(29)20-4-3-9-27-13-20/h3-4,6,8-13,22-23,28-29H,5,7,14-15H2,1-2H3,(H,30,31)