2-methyl-1-oxidanylidene-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid

Systemtic Name: 2-methyl-1-oxidanylidene-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid Openeye Name: 2-methyl-1-oxo-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid CAS Name: 2-methyl-1-oxo-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid IUPAC Name: 2-methyl-1-oxo-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid Traditional Name: 1-keto-2-methyl-3-phenyl-3,4,7,7a-tetrahydroisoindole-3a-carboxylic acid Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2(CC=CCC2C1=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C(C2(CC=CCC2C1=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H17NO3/c1-17-13(11-7-3-2-4-8-11)16(15(19)20)10-6-5-9-12(16)14(17)18/h2-8,12-13H,9-10H2,1H3,(H,19,20)