methyl 5-(9,10-dimethoxy-7,7-dimethyl-3-oxidanylidene-1,2,5,6-tetrahydro-4-benzazonin-4-yl)furan-2-carboxylate

Systemtic Name: methyl 5-(9,10-dimethoxy-7,7-dimethyl-3-oxidanylidene-1,2,5,6-tetrahydro-4-benzazonin-4-yl)furan-2-carboxylate Openeye Name: methyl 5-(9,10-dimethoxy-7,7-dimethyl-3-oxo-1,2,5,6-tetrahydro-4-benzazonin-4-yl)furan-2-carboxylate CAS Name: 5-(9,10-dimethoxy-7,7-dimethyl-3-oxo-1,2,5,6-tetrahydro-4-benzazonin-4-yl)-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-(9,10-dimethoxy-7,7-dimethyl-3-oxo-1,2,5,6-tetrahydro-4-benzazonin-4-yl)furan-2-carboxylate Traditional Name: 5-(3-keto-9,10-dimethoxy-7,7-dimethyl-1,2,5,6-tetrahydro-4-benzazonin-4-yl)furan-2-carboxylic acid methyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(=O)CCC2=CC(=C(C=C21)OC)OC)C3=CC=C(O3)C(=O)OC)C

Isomeric SMILES

CC1(CCN(C(=O)CCC2=CC(=C(C=C21)OC)OC)C3=CC=C(O3)C(=O)OC)C

InChI

InChI=1S/C22H27NO6/c1-22(2)10-11-23(20-9-7-16(29-20)21(25)28-5)19(24)8-6-14-12-17(26-3)18(27-4)13-15(14)22/h7,9,12-13H,6,8,10-11H2,1-5H3