ethyl 3-[3-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanyl-but-2-enyl]-4-oxidanyl-2-oxidanylidene-3,4-dihydropyran-6-carboxylate

Systemtic Name: ethyl 3-[3-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanyl-but-2-enyl]-4-oxidanyl-2-oxidanylidene-3,4-dihydropyran-6-carboxylate Openeye Name: ethyl 4-hydroxy-3-[1-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]but-2-enyl]-2-oxo-3,4-dihydropyran-6-carboxylate CAS Name: 4-hydroxy-3-[1-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]but-2-enyl]-2-oxo-3,4-dihydropyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-[1-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]but-2-enyl]-2-oxo-3,4-dihydropyran-6-carboxylate Traditional Name: 4-hydroxy-3-[1-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]but-2-enyl]-2-keto-3,4-dihydropyran-6-carboxylic acid ethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C(C(=O)O1)C(C=C(C)NCCC2=CC=C(C=C2)O)O)O

Isomeric SMILES

CCOC(=O)C1=CC(C(C(=O)O1)C(C=C(C)NCCC2=CC=C(C=C2)O)O)O

InChI

InChI=1S/C20H25NO7/c1-3-27-19(25)17-11-16(24)18(20(26)28-17)15(23)10-12(2)21-9-8-13-4-6-14(22)7-5-13/h4-7,10-11,15-16,18,21-24H,3,8-9H2,1-2H3