ethyl 2-azanyl-4-[5-bromanyl-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[5-bromanyl-2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: ethyl 2-amino-4-[5-bromo-2-[2-(4-fluoroanilino)-2-oxo-ethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[5-bromo-2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[5-bromo-2-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[5-bromo-2-[2-(4-fluoroanilino)-2-keto-ethoxy]phenyl]-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carboxylic acid ethyl ester Formula: C28H28BrFN2O6 MolecularWeight: 587.434123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=C(C=C4)F)C(=O)CC(C2)(C)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)Br)OCC(=O)NC4=CC=C(C=C4)F)C(=O)CC(C2)(C)C)N

InChI

InChI=1S/C28H28BrFN2O6/c1-4-36-27(35)25-23(24-19(33)12-28(2,3)13-21(24)38-26(25)31)18-11-15(29)5-10-20(18)37-14-22(34)32-17-8-6-16(30)7-9-17/h5-11,23H,4,12-14,31H2,1-3H3,(H,32,34)