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

Systemtic Name: 2-ethoxy-4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 2-ethoxy-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 2-ethoxy-4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 2-ethoxy-4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 2-ethoxy-4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O)C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-2-32-25-13-18(6-9-22(25)26(30)31)17-7-10-24-19(12-17)5-8-21(33-24)15-28-16-23(29)20-4-3-11-27-14-20/h3-4,6-7,9-14,21,23,28-29H,2,5,8,15-16H2,1H3,(H,30,31)