methyl 1-[(2-acetamido-5-acetyloxy-4-methoxy-phenyl)methyl]-6-oxidanylidene-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate

Systemtic Name: methyl 1-[(2-acetamido-5-acetyloxy-4-methoxy-phenyl)methyl]-6-oxidanylidene-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate Openeye Name: methyl 1-[(2-acetamido-5-acetoxy-4-methoxy-phenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate CAS Name: 1-[(2-acetamido-5-acetyloxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-acetamido-5-acetyloxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate Traditional Name: 1-(2-acetamido-5-acetoxy-4-methoxy-benzyl)-6-keto-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylic acid methyl ester Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1CC2C3=C(CCN2C(=O)OC)CC(=O)CC3)OC(=O)C)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1CC2C3=C(CCN2C(=O)OC)CC(=O)CC3)OC(=O)C)OC

InChI

InChI=1S/C23H28N2O7/c1-13(26)24-19-12-21(30-3)22(32-14(2)27)11-16(19)10-20-18-6-5-17(28)9-15(18)7-8-25(20)23(29)31-4/h11-12,20H,5-10H2,1-4H3,(H,24,26)