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

Systemtic Name: 1-(3-ethoxyphenyl)carbonyl-6-(2-hydroxyethyloxy)-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 1-[(3-ethoxyphenyl)-oxomethyl]-6-(2-hydroxyethoxy)-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 1-(3-ethoxybenzoyl)-6-(2-hydroxyethoxy)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C22H21NO6 MolecularWeight: 395.40524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-3-28-16-6-4-5-14(9-16)22(26)21-18-11-19(27-2)20(29-8-7-24)10-17(18)15(13-25)12-23-21/h4-6,9-13,24H,3,7-8H2,1-2H3