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

Systemtic Name: ethyl 2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-(phenylmethyl)-2H-chromen-6-yl]-3-oxidanylidene-pentanoate Openeye Name: ethyl 5-[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxo-pentanoate CAS Name: 2,2-dimethyl-5-[3-(1-methyl-2-imidazolyl)-2-(phenylmethyl)-2H-1-benzopyran-6-yl]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxopentanoate Traditional Name: 5-[2-benzyl-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-3-keto-2,2-dimethyl-valeric acid ethyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(=O)CCC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C)(C)C(=O)CCC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-5-34-28(33)29(2,3)26(32)14-12-21-11-13-24-22(17-21)19-23(27-30-15-16-31(27)4)25(35-24)18-20-9-7-6-8-10-20/h6-11,13,15-17,19,25H,5,12,14,18H2,1-4H3