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

Systemtic Name: 6-(2-bromoethyloxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 6-(2-bromoethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 6-(2-bromoethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 6-(2-bromoethoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 6-(2-bromoethoxy)-1-(3-ethoxybenzyl)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrNO4/c1-3-27-17-6-4-5-15(9-17)10-20-19-12-21(26-2)22(28-8-7-23)11-18(19)16(14-25)13-24-20/h4-6,9,11-14H,3,7-8,10H2,1-2H3