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

Systemtic Name: 2-(4-methylphenoxy)-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-(4-methylphenoxy)benzoic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-(4-methylphenoxy)benzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-(4-methylphenoxy)benzoic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2-(4-methylphenoxy)benzoic acid Formula: C31H30N2O5 MolecularWeight: 510.5803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O)C(=O)O

InChI

InChI=1S/C31H30N2O5/c1-20-4-9-25(10-5-20)37-30-16-22(7-12-27(30)31(35)36)21-8-13-29-23(15-21)6-11-26(38-29)18-33-19-28(34)24-3-2-14-32-17-24/h2-5,7-10,12-17,26,28,33-34H,6,11,18-19H2,1H3,(H,35,36)