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

Systemtic Name: 6-(3-bromanylpropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 6-(3-bromopropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(3-bromopropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 6-(3-bromopropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 6-(3-bromopropoxy)-1-(3-ethoxybenzyl)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OCCCBr)C=O

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2=NC=C(C3=CC(=C(C=C32)OC)OCCCBr)C=O

InChI

InChI=1S/C23H24BrNO4/c1-3-28-18-7-4-6-16(10-18)11-21-20-13-22(27-2)23(29-9-5-8-24)12-19(20)17(15-26)14-25-21/h4,6-7,10,12-15H,3,5,8-9,11H2,1-2H3