[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl] 2,2-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: [3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl] 2,2-dimethyl-3-oxidanylidene-pentanoate Openeye Name: [3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl] 2,2-dimethyl-3-oxo-pentanoate CAS Name: 2,2-dimethyl-3-oxopentanoic acid [3-(1-methyl-2-imidazolyl)-2-phenethyl-2H-1-benzopyran-6-yl] ester IUPAC Name: [3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl] 2,2-dimethyl-3-oxopentanoate Traditional Name: 3-keto-2,2-dimethyl-valeric acid [3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-6-yl] ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)(C)C(=O)OC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)C(C)(C)C(=O)OC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4/c1-5-25(31)28(2,3)27(32)33-21-12-14-23-20(17-21)18-22(26-29-15-16-30(26)4)24(34-23)13-11-19-9-7-6-8-10-19/h6-10,12,14-18,24H,5,11,13H2,1-4H3