3-(4-methoxyphenoxy)-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylate

Systemtic Name: 3-(4-methoxyphenoxy)-2-methyl-4-(4-oxidanylidenechromen-7-yl)morpholin-4-ium-4-carboxylate Openeye Name: 3-(4-methoxyphenoxy)-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylate CAS Name: 3-(4-methoxyphenoxy)-2-methyl-4-(4-oxo-1-benzopyran-7-yl)-4-morpholin-4-iumcarboxylate IUPAC Name: 3-(4-methoxyphenoxy)-2-methyl-4-(4-oxochromen-7-yl)morpholin-4-ium-4-carboxylate Traditional Name: 4-(4-ketochromen-7-yl)-3-(4-methoxyphenoxy)-2-methyl-morpholin-4-ium-4-carboxylate Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](CCO1)(C2=CC3=C(C=C2)C(=O)C=CO3)C(=O)[O-])OC4=CC=C(C=C4)OC

Isomeric SMILES

CC1C([N+](CCO1)(C2=CC3=C(C=C2)C(=O)C=CO3)C(=O)[O-])OC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21NO7/c1-14-21(30-17-6-4-16(27-2)5-7-17)23(22(25)26,10-12-28-14)15-3-8-18-19(24)9-11-29-20(18)13-15/h3-9,11,13-14,21H,10,12H2,1-2H3