methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxidanylidene-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate

Systemtic Name: methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxidanylidene-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate Openeye Name: methyl 7-acetoxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate CAS Name: 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 7-acetyloxy-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylate Traditional Name: 7-acetoxy-3-keto-6-methoxy-2-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,4,4a,5,6,7,8,8a-octahydroisoquinoline-5-carboxylic acid methyl ester Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2CN(C(=O)CC2C(C1OC)C(=O)OC)CCC3=CNC4=C3C=C(C=C4)OC

Isomeric SMILES

CC(=O)OC1CC2CN(C(=O)CC2C(C1OC)C(=O)OC)CCC3=CNC4=C3C=C(C=C4)OC

InChI

InChI=1S/C25H32N2O7/c1-14(28)34-21-9-16-13-27(22(29)11-19(16)23(24(21)32-3)25(30)33-4)8-7-15-12-26-20-6-5-17(31-2)10-18(15)20/h5-6,10,12,16,19,21,23-24,26H,7-9,11,13H2,1-4H3