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

Systemtic Name: 1-[(3-ethoxyphenyl)methyl]-7-methoxy-6-(3-oxidanylpropoxy)-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)methyl]-6-(3-hydroxypropoxy)-7-methoxy-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)methyl]-6-(3-hydroxypropoxy)-7-methoxy-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)methyl]-6-(3-hydroxypropoxy)-7-methoxy-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(3-ethoxybenzyl)-6-(3-hydroxypropoxy)-7-methoxy-1H-isoquinoline-2-carboxylic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-3-29-18-7-4-6-16(12-18)13-20-19-15-21(28-2)22(30-11-5-10-25)14-17(19)8-9-24(20)23(26)27/h4,6-9,12,14-15,20,25H,3,5,10-11,13H2,1-2H3,(H,26,27)