6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid Openeye Name: 6-(3-acetoxypropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid CAS Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 6-(3-acetyloxypropoxy)-1-[(3-ethoxyphenyl)methyl]-7-methoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 6-(3-acetoxypropoxy)-1-(3-ethoxybenzyl)-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C25H29NO7 MolecularWeight: 455.50026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OCCCOC(=O)C)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)CC2C3=CC(=C(C=C3C=CN2C(=O)O)OCCCOC(=O)C)OC

InChI

InChI=1S/C25H29NO7/c1-4-31-20-8-5-7-18(13-20)14-22-21-16-23(30-3)24(33-12-6-11-32-17(2)27)15-19(21)9-10-26(22)25(28)29/h5,7-10,13,15-16,22H,4,6,11-12,14H2,1-3H3,(H,28,29)