5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid

Systemtic Name: 5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid Openeye Name: 5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid CAS Name: 5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid IUPAC Name: 5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid Traditional Name: 5-methyl-3-phenyl-2H-isoindole-1-carboxylic acid Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NC(=C2C=C1)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(NC(=C2C=C1)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO2/c1-10-7-8-12-13(9-10)14(17-15(12)16(18)19)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,18,19)