ethyl 7-methoxy-1-[(3-methoxyphenyl)methyl]-6-oxidanyl-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 7-methoxy-1-[(3-methoxyphenyl)methyl]-6-oxidanyl-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 6-hydroxy-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylate CAS Name: 6-hydroxy-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-7-methoxy-1-[(3-methoxyphenyl)methyl]-1H-isoquinoline-2-carboxylate Traditional Name: 6-hydroxy-1-m-anisyl-7-methoxy-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC(=C(C=C2C1CC3=CC(=CC=C3)OC)OC)O

Isomeric SMILES

CCOC(=O)N1C=CC2=CC(=C(C=C2C1CC3=CC(=CC=C3)OC)OC)O

InChI

InChI=1S/C21H23NO5/c1-4-27-21(24)22-9-8-15-12-19(23)20(26-3)13-17(15)18(22)11-14-6-5-7-16(10-14)25-2/h5-10,12-13,18,23H,4,11H2,1-3H3