1,6-bis[(3-ethoxyphenyl)carbonyl]-7-methoxy-isoquinoline-4-carbaldehyde

Systemtic Name: 1,6-bis[(3-ethoxyphenyl)carbonyl]-7-methoxy-isoquinoline-4-carbaldehyde Openeye Name: 1,6-bis(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde CAS Name: 1,6-bis[(3-ethoxyphenyl)-oxomethyl]-7-methoxy-4-isoquinolinecarboxaldehyde IUPAC Name: 1,6-bis(3-ethoxybenzoyl)-7-methoxyisoquinoline-4-carbaldehyde Traditional Name: 1,6-bis(3-ethoxybenzoyl)-7-methoxy-isoquinoline-4-carbaldehyde Formula: C29H25NO6 MolecularWeight: 483.5119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=C(C=C3C(=C2)C(=CN=C3C(=O)C4=CC(=CC=C4)OCC)C=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=C(C=C3C(=C2)C(=CN=C3C(=O)C4=CC(=CC=C4)OCC)C=O)OC

InChI

InChI=1S/C29H25NO6/c1-4-35-21-10-6-8-18(12-21)28(32)25-14-23-20(17-31)16-30-27(24(23)15-26(25)34-3)29(33)19-9-7-11-22(13-19)36-5-2/h6-17H,4-5H2,1-3H3