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

Systemtic Name: 6-(2-bromoethyloxy)-1-(3-ethoxyphenyl)carbonyl-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 6-(2-bromoethoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(2-bromoethoxy)-1-[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 6-(2-bromoethoxy)-1-(3-ethoxybenzoyl)-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 6-(2-bromoethoxy)-1-(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C22H20BrNO5 MolecularWeight: 458.3019

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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)OCCBr)C=O

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5/c1-3-28-16-6-4-5-14(9-16)22(26)21-18-11-19(27-2)20(29-8-7-23)10-17(18)15(13-25)12-24-21/h4-6,9-13H,3,7-8H2,1-2H3