methyl 2-[[7-oxidanyl-4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[7-oxidanyl-4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenyl-propanoate CAS Name: 2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-8-yl]methylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoate Traditional Name: 2-[[7-hydroxy-4-keto-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenyl-propionic acid methyl ester Formula: C27H22F3NO6 MolecularWeight: 513.46189

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C27H22F3NO6/c1-35-26(34)20(14-16-8-4-2-5-9-16)31-15-19-21(32)13-12-18-22(33)24(36-17-10-6-3-7-11-17)25(27(28,29)30)37-23(18)19/h2-13,20,31-32H,14-15H2,1H3