2-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]-3-phenyl-propanoate

Systemtic Name: 2-[[3-(4-fluorophenyl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]-3-phenyl-propanoate Openeye Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methylammonio]-3-phenyl-propanoate CAS Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methylammonio]-3-phenylpropanoate IUPAC Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methylazaniumyl]-3-phenylpropanoate Traditional Name: 2-[[3-(4-fluorophenyl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methylammonio]-3-phenyl-propionate Formula: C26H22FNO5 MolecularWeight: 447.454983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C26H22FNO5/c1-15-23(17-7-9-18(27)10-8-17)24(30)19-11-12-22(29)20(25(19)33-15)14-28-21(26(31)32)13-16-5-3-2-4-6-16/h2-12,21,28-29H,13-14H2,1H3,(H,31,32)