2,2-dimethyl-5-[[3-(1-methylimidazol-2-yl)-2-(phenylmethyl)-2H-chromen-6-yl]oxy]pentanoic acid

Systemtic Name: 2,2-dimethyl-5-[[3-(1-methylimidazol-2-yl)-2-(phenylmethyl)-2H-chromen-6-yl]oxy]pentanoic acid Openeye Name: 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-pentanoic acid CAS Name: 2,2-dimethyl-5-[[3-(1-methyl-2-imidazolyl)-2-(phenylmethyl)-2H-1-benzopyran-6-yl]oxy]pentanoic acid IUPAC Name: 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-valeric acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-27(2,26(30)31)12-7-15-32-21-10-11-23-20(17-21)18-22(25-28-13-14-29(25)3)24(33-23)16-19-8-5-4-6-9-19/h4-6,8-11,13-14,17-18,24H,7,12,15-16H2,1-3H3,(H,30,31)