methyl 4-[[8-(dimethylaminomethyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate

Systemtic Name: methyl 4-[[8-(dimethylaminomethyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: methyl 4-[[8-(dimethylaminomethyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate CAS Name: 4-[[8-(dimethylaminomethyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[8-(dimethylaminomethyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Traditional Name: 4-[[8-(dimethylaminomethyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoic acid methyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)C(=O)OC)O)CCC1=O

Isomeric SMILES

CN(C)CC1C2C(=C(C(=CO2)OC3=CC=C(C=C3)C(=O)OC)O)CCC1=O

InChI

InChI=1S/C20H23NO6/c1-21(2)10-15-16(22)9-8-14-18(23)17(11-26-19(14)15)27-13-6-4-12(5-7-13)20(24)25-3/h4-7,11,15,19,23H,8-10H2,1-3H3