1-methyl-3-(3-methylphenyl)-4-oxidanylidene-2-(phenylcarbonyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid

Systemtic Name: 1-methyl-3-(3-methylphenyl)-4-oxidanylidene-2-(phenylcarbonyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Openeye Name: 2-benzoyl-1-methyl-3-(m-tolyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid CAS Name: 2-benzoyl-1-methyl-3-(3-methylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid IUPAC Name: 2-benzoyl-1-methyl-3-(3-methylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Traditional Name: 2-benzoyl-4-keto-1-methyl-3-(m-tolyl)-3,3a,5,6,7,7a-hexahydroisoindole-1-carboxylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3C(CCCC3=O)C(N2C(=O)C4=CC=CC=C4)(C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2C3C(CCCC3=O)C(N2C(=O)C4=CC=CC=C4)(C)C(=O)O

InChI

InChI=1S/C24H25NO4/c1-15-8-6-11-17(14-15)21-20-18(12-7-13-19(20)26)24(2,23(28)29)25(21)22(27)16-9-4-3-5-10-16/h3-6,8-11,14,18,20-21H,7,12-13H2,1-2H3,(H,28,29)