3-[1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-isoquinolin-6-yl]oxypropyl ethanoate

Systemtic Name: 3-[1-[(3-ethoxyphenyl)methyl]-4-methanoyl-7-methoxy-isoquinolin-6-yl]oxypropyl ethanoate Openeye Name: 3-[[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-6-isoquinolyl]oxy]propyl acetate CAS Name: acetic acid 3-[[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxy-6-isoquinolinyl]oxy]propyl ester IUPAC Name: 3-[1-[(3-ethoxyphenyl)methyl]-4-formyl-7-methoxyisoquinolin-6-yl]oxypropyl acetate Traditional Name: acetic acid 3-[[1-(3-ethoxybenzyl)-4-formyl-7-methoxy-6-isoquinolyl]oxy]propyl ester Formula: C25H27NO6 MolecularWeight: 437.48498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO6/c1-4-30-20-8-5-7-18(11-20)12-23-22-14-24(29-3)25(32-10-6-9-31-17(2)28)13-21(22)19(16-27)15-26-23/h5,7-8,11,13-16H,4,6,9-10,12H2,1-3H3