ethyl 4-[[4-oxidanyl-7-oxidanylidene-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate

Systemtic Name: ethyl 4-[[4-oxidanyl-7-oxidanylidene-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: ethyl 4-[[4-hydroxy-7-oxo-8-(1-piperidylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate CAS Name: 4-[[4-hydroxy-7-oxo-8-(1-piperidinylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-hydroxy-7-oxo-8-(piperidin-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Traditional Name: 4-[[4-hydroxy-7-keto-8-(piperidinomethyl)-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoic acid ethyl ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)CN4CCCCC4

InChI

InChI=1S/C24H29NO6/c1-2-29-24(28)16-6-8-17(9-7-16)31-21-15-30-23-18(22(21)27)10-11-20(26)19(23)14-25-12-4-3-5-13-25/h6-9,15,19,23,27H,2-5,10-14H2,1H3