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

Systemtic Name: ethyl 2,2-dimethyl-5-[[3-(1-methylimidazol-2-yl)-2-(phenylmethyl)-2H-chromen-6-yl]oxy]pentanoate Openeye Name: ethyl 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-pentanoate CAS Name: 2,2-dimethyl-5-[[3-(1-methyl-2-imidazolyl)-2-(phenylmethyl)-2H-1-benzopyran-6-yl]oxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethylpentanoate Traditional Name: 5-[[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]oxy]-2,2-dimethyl-valeric acid ethyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-5-33-28(32)29(2,3)14-9-17-34-23-12-13-25-22(19-23)20-24(27-30-15-16-31(27)4)26(35-25)18-21-10-7-6-8-11-21/h6-8,10-13,15-16,19-20,26H,5,9,14,17-18H2,1-4H3