4-[2-[[[3-[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]oxy-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid

Systemtic Name: 4-[2-[[[3-[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]oxy-2-oxidanyl-propyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Openeye Name: 4-[2-[[[3-[[2-(2,5-dimethylpyrrol-1-yl)-3-pyridyl]oxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid CAS Name: 4-[2-[[[3-[[2-(2,5-dimethyl-1-pyrrolyl)-3-pyridinyl]oxy]-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]benzoic acid IUPAC Name: 4-[2-[[[3-[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]oxy-2-hydroxypropyl]amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzoic acid Traditional Name: 4-[2-[[[3-[[2-(2,5-dimethylpyrrol-1-yl)-3-pyridyl]oxy]-2-hydroxy-propyl]amino]methyl]chroman-6-yl]benzoic acid Formula: C31H33N3O5 MolecularWeight: 527.61082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC=N2)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC=N2)OCC(CNCC3CCC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C(=O)O)O)C

InChI

InChI=1S/C31H33N3O5/c1-20-5-6-21(2)34(20)30-29(4-3-15-33-30)38-19-26(35)17-32-18-27-13-11-25-16-24(12-14-28(25)39-27)22-7-9-23(10-8-22)31(36)37/h3-10,12,14-16,26-27,32,35H,11,13,17-19H2,1-2H3,(H,36,37)