[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-3-phenyl-propanoate chloride

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-azanyl-3-phenyl-propanoate chloride Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-3-phenyl-propanoate chloride CAS Name: 2-amino-3-phenylpropanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester chloride IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] 2-amino-3-phenylpropanoate chloride Traditional Name: 2-amino-3-phenyl-propionic acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester chloride Formula: C25H18ClF3NO5- MolecularWeight: 504.86233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4)N.[Cl-]

InChI

InChI=1S/C25H18F3NO5.ClH/c26-25(27,28)23-22(32-16-9-5-2-6-10-16)21(30)18-12-11-17(14-20(18)34-23)33-24(31)19(29)13-15-7-3-1-4-8-15;/h1-12,14,19H,13,29H2;1H/p-1