6-(2-ethoxyethoxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carbaldehyde

Systemtic Name: 6-(2-ethoxyethoxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(2-ethoxyethoxy)-1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 1-(3-ethoxybenzoyl)-6-(2-ethoxyethoxy)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-4-29-9-10-31-22-12-19-17(15-26)14-25-23(20(19)13-21(22)28-3)24(27)16-7-6-8-18(11-16)30-5-2/h6-8,11-15H,4-5,9-10H2,1-3H3