[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2-acetamidopropanoate

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2-acetamidopropanoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2-acetamidopropanoate CAS Name: 2-acetamidopropanoic acid [4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl ester IUPAC Name: [4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl 2-acetamidopropanoate Traditional Name: 2-acetamidopropionic acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C25H27N2O6+ MolecularWeight: 451.49168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CC(C(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C25H26N2O6/c1-17(26-18(2)28)25(30)32-16-27(11-13-31-14-12-27)23-15-22(29)21-10-6-9-20(24(21)33-23)19-7-4-3-5-8-19/h3-10,15,17H,11-14,16H2,1-2H3/p+1