2-[(4-methylphenyl)carbamoyl]-4-oxidanylidene-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid

Systemtic Name: 2-[(4-methylphenyl)carbamoyl]-4-oxidanylidene-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 4-oxo-3-phenyl-2-(p-tolylcarbamoyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 2-[(4-methylanilino)-oxomethyl]-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 2-[(4-methylphenyl)carbamoyl]-4-oxo-3-phenyl-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 4-keto-3-phenyl-2-(p-tolylcarbamoyl)-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-14-10-12-16(13-11-14)24-23(29)25-20(15-6-3-2-4-7-15)19-17(21(25)22(27)28)8-5-9-18(19)26/h2-4,6-7,10-13,17,19-21H,5,8-9H2,1H3,(H,24,29)(H,27,28)