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

Systemtic Name: propyl 4-[[8-(dimethylaminomethyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)CN(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3C(C(=O)CCC3=C2O)CN(C)C

InChI

InChI=1S/C22H27NO6/c1-4-11-27-22(26)14-5-7-15(8-6-14)29-19-13-28-21-16(20(19)25)9-10-18(24)17(21)12-23(2)3/h5-8,13,17,21,25H,4,9-12H2,1-3H3