ethyl 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxidanylidene-pentanoate Openeye Name: ethyl 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxo-pentanoate CAS Name: 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methyl-2-imidazolyl)-2H-1-benzopyran-6-yl]-2,2-dimethyl-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-2,2-dimethyl-3-oxopentanoate Traditional Name: 5-[2-[2-(4-fluorophenyl)ethyl]-3-(1-methylimidazol-2-yl)-2H-chromen-6-yl]-3-keto-2,2-dimethyl-valeric acid ethyl ester Formula: C30H33FN2O4 MolecularWeight: 504.592423

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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)CCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C(C)(C)C(=O)CCC1=CC2=C(C=C1)OC(C(=C2)C3=NC=CN3C)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C30H33FN2O4/c1-5-36-29(35)30(2,3)27(34)15-10-21-9-13-25-22(18-21)19-24(28-32-16-17-33(28)4)26(37-25)14-8-20-6-11-23(31)12-7-20/h6-7,9,11-13,16-19,26H,5,8,10,14-15H2,1-4H3