4-methyl-1-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 4-methyl-1-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 4-methyl-1-phenyl-isoquinoline-3-carboxylic acid CAS Name: 4-methyl-1-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 4-methyl-1-phenylisoquinoline-3-carboxylic acid Traditional Name: 4-methyl-1-phenyl-isoquinoline-3-carboxylic acid Formula: C17H13NO2 MolecularWeight: 263.29062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C2=CC=CC=C12)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(N=C(C2=CC=CC=C12)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H13NO2/c1-11-13-9-5-6-10-14(13)16(18-15(11)17(19)20)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)