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

Systemtic Name: methyl 1-[(2-acetamido-4-methoxy-5-oxidanyl-phenyl)methyl]-6-oxidanylidene-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate Openeye Name: methyl 1-[(2-acetamido-5-hydroxy-4-methoxy-phenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate CAS Name: 1-[(2-acetamido-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-acetamido-5-hydroxy-4-methoxyphenyl)methyl]-6-oxo-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylate Traditional Name: 1-(2-acetamido-5-hydroxy-4-methoxy-benzyl)-6-keto-1,3,4,5,7,8-hexahydroisoquinoline-2-carboxylic acid methyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6/c1-12(24)22-17-11-20(28-2)19(26)10-14(17)9-18-16-5-4-15(25)8-13(16)6-7-23(18)21(27)29-3/h10-11,18,26H,4-9H2,1-3H3,(H,22,24)