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

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

Systemtic Name:1-[(3-ethoxyphenyl)methyl]-7-methoxy-6-oxidanyl-1H-isoquinoline-2-carboxylic acid
Openeye Name:1-[(3-ethoxyphenyl)methyl]-6-hydroxy-7-methoxy-1H-isoquinoline-2-carboxylic acid
CAS Name:1-[(3-ethoxyphenyl)methyl]-6-hydroxy-7-methoxy-1H-isoquinoline-2-carboxylic acid
IUPAC Name:1-[(3-ethoxyphenyl)methyl]-6-hydroxy-7-methoxy-1H-isoquinoline-2-carboxylic acid
Traditional Name:1-(3-ethoxybenzyl)-6-hydroxy-7-methoxy-1H-isoquinoline-2-carboxylic acid
Formula: C20H21NO5
MolecularWeight: 355.38444
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H21NO5/c1-3-26-15-6-4-5-13(9-15)10-17-16-12-19(25-2)18(22)11-14(16)7-8-21(17)20(23)24/h4-9,11-12,17,22H,3,10H2,1-2H3,(H,23,24)


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