ethyl 2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-7-yl]-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-7-yl]-3-oxidanylidene-pentanoate Openeye Name: ethyl 2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-7-yl]-3-oxo-pentanoate CAS Name: 2,2-dimethyl-5-[3-(1-methyl-2-imidazolyl)-2-phenethyl-2H-1-benzopyran-7-yl]-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-7-yl]-3-oxopentanoate Traditional Name: 3-keto-2,2-dimethyl-5-[3-(1-methylimidazol-2-yl)-2-phenethyl-2H-chromen-7-yl]valeric acid ethyl ester Formula: C30H34N2O4 MolecularWeight: 486.60196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(=O)CCC1=CC2=C(C=C1)C=C(C(O2)CCC3=CC=CC=C3)C4=NC=CN4C

Isomeric SMILES

CCOC(=O)C(C)(C)C(=O)CCC1=CC2=C(C=C1)C=C(C(O2)CCC3=CC=CC=C3)C4=NC=CN4C

InChI

InChI=1S/C30H34N2O4/c1-5-35-29(34)30(2,3)27(33)16-13-22-11-14-23-20-24(28-31-17-18-32(28)4)25(36-26(23)19-22)15-12-21-9-7-6-8-10-21/h6-11,14,17-20,25H,5,12-13,15-16H2,1-4H3