ethyl 1-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-ethoxycarbonylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H32NO8+ MolecularWeight: 510.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O

InChI

InChI=1S/C28H31NO8/c1-4-34-27(32)18-6-8-20(9-7-18)37-25-17(3)36-26-21(24(25)31)10-11-23(30)22(26)16-29-14-12-19(13-15-29)28(33)35-5-2/h6-11,19,30H,4-5,12-16H2,1-3H3/p+1