1-[methyl(phenyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[methyl(phenyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-(N-methylanilino)isoquinoline-3-carboxylic acid CAS Name: 1-(N-methylanilino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(N-methylanilino)isoquinoline-3-carboxylic acid Traditional Name: 1-(N-methylanilino)isoquinoline-3-carboxylic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H14N2O2/c1-19(13-8-3-2-4-9-13)16-14-10-6-5-7-12(14)11-15(18-16)17(20)21/h2-11H,1H3,(H,20,21)