2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate

Systemtic Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 2-methyl-8-(4-morpholin-4-iumylmethyl)-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 2-methyl-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 4-keto-2-methyl-8-(morpholin-4-ium-4-ylmethyl)-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C25H27NO7 MolecularWeight: 453.48438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C

InChI

InChI=1S/C25H27NO7/c1-3-12-31-25(29)17-4-6-18(7-5-17)33-23-16(2)32-24-19(22(23)28)8-9-21(27)20(24)15-26-10-13-30-14-11-26/h4-9,27H,3,10-15H2,1-2H3