ethyl 6,7-dimethoxy-1-[(3-phenylmethoxyphenyl)methyl]isoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-[(3-phenylmethoxyphenyl)methyl]isoquinoline-4-carboxylate Openeye Name: ethyl 1-[(3-benzyloxyphenyl)methyl]-6,7-dimethoxy-isoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[(3-phenylmethoxyphenyl)methyl]-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[(3-phenylmethoxyphenyl)methyl]isoquinoline-4-carboxylate Traditional Name: 1-(3-benzoxybenzyl)-6,7-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO5/c1-4-33-28(30)24-17-29-25(23-16-27(32-3)26(31-2)15-22(23)24)14-20-11-8-12-21(13-20)34-18-19-9-6-5-7-10-19/h5-13,15-17H,4,14,18H2,1-3H3