6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde

Systemtic Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 1-(3-ethoxybenzyl)-6-(2-ethoxyethoxy)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=C(C=C2C(=C1)C(=CN=C2CC3=CC(=CC=C3)OCC)C=O)OC

Isomeric SMILES

CCOCCOC1=C(C=C2C(=C1)C(=CN=C2CC3=CC(=CC=C3)OCC)C=O)OC

InChI

InChI=1S/C24H27NO5/c1-4-28-9-10-30-24-13-20-18(16-26)15-25-22(21(20)14-23(24)27-3)12-17-7-6-8-19(11-17)29-5-2/h6-8,11,13-16H,4-5,9-10,12H2,1-3H3