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

Systemtic Name: 6-(3-bromanylpropoxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 6-(3-bromopropoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(3-bromopropoxy)-1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 6-(3-bromopropoxy)-1-(3-ethoxybenzoyl)-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 6-(3-bromopropoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCBr)C=O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCCBr)C=O

InChI

InChI=1S/C23H22BrNO5/c1-3-29-17-7-4-6-15(10-17)23(27)22-19-12-20(28-2)21(30-9-5-8-24)11-18(19)16(14-26)13-25-22/h4,6-7,10-14H,3,5,8-9H2,1-2H3