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

Systemtic Name: 4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenoxy-benzoic acid Openeye Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2-phenoxy-benzoic acid CAS Name: 4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-2-phenoxybenzoic acid IUPAC Name: 4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-2-phenoxybenzoic acid Traditional Name: 4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-2-phenoxy-benzoic acid Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)OC4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)OC4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C30H28N2O5/c33-27(23-5-4-14-31-17-23)19-32-18-25-11-8-22-15-20(10-13-28(22)37-25)21-9-12-26(30(34)35)29(16-21)36-24-6-2-1-3-7-24/h1-7,9-10,12-17,25,27,32-33H,8,11,18-19H2,(H,34,35)