1-(3-methylphenoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-methylphenoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(3-methylphenoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(3-methylphenoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-methylphenoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(3-methylphenoxy)isoquinoline-3-carboxylic acid Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)21-16-14-8-3-2-6-12(14)10-15(18-16)17(19)20/h2-10H,1H3,(H,19,20)