methyl 4-(2-acetyloxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate

Systemtic Name: methyl 4-(2-acetyloxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate Openeye Name: methyl 4-(2-acetoxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate CAS Name: 4-(2-acetyloxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-acetyloxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoate Traditional Name: 4-(2-acetoxy-8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)benzoic acid methyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C(C1)C3=CC(=C(C=C3C(=N2)C4=CC=C(C=C4)C(=O)OC)OC)OC

Isomeric SMILES

CC(=O)OC1CCC2C(C1)C3=CC(=C(C=C3C(=N2)C4=CC=C(C=C4)C(=O)OC)OC)OC

InChI

InChI=1S/C25H27NO6/c1-14(27)32-17-9-10-21-19(11-17)18-12-22(29-2)23(30-3)13-20(18)24(26-21)15-5-7-16(8-6-15)25(28)31-4/h5-8,12-13,17,19,21H,9-11H2,1-4H3