methyl 4-[[8-(dimethylaminomethyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate

Systemtic Name: methyl 4-[[8-(dimethylaminomethyl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Openeye Name: methyl 4-[[8-(dimethylaminomethyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate CAS Name: 4-[[8-(dimethylaminomethyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-3-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[8-(dimethylaminomethyl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoate Traditional Name: 4-[[8-(dimethylaminomethyl)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-3-yl]oxy]benzoic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)CN(C)C)O)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)CN(C)C)O)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO6/c1-12-19(28-14-7-5-13(6-8-14)21(25)26-4)18(24)15-9-10-17(23)16(11-22(2)3)20(15)27-12/h5-8,16,20,24H,9-11H2,1-4H3