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

Systemtic Name: [3-(1-methylimidazol-2-yl)-2-(phenylmethyl)-2H-chromen-6-yl] 2,2-dimethyl-3-oxidanylidene-pentanoate Openeye Name: [2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl] 2,2-dimethyl-3-oxo-pentanoate CAS Name: 2,2-dimethyl-3-oxopentanoic acid [3-(1-methyl-2-imidazolyl)-2-(phenylmethyl)-2H-1-benzopyran-6-yl] ester IUPAC Name: [2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl] 2,2-dimethyl-3-oxopentanoate Traditional Name: 3-keto-2,2-dimethyl-valeric acid [2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl] ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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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)CC4=CC=CC=C4

Isomeric SMILES

CCC(=O)C(C)(C)C(=O)OC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4/c1-5-24(30)27(2,3)26(31)32-20-11-12-22-19(16-20)17-21(25-28-13-14-29(25)4)23(33-22)15-18-9-7-6-8-10-18/h6-14,16-17,23H,5,15H2,1-4H3