3-(4-cyanophenyl)-2-cyclopentylcarbonyl-4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-2-cyclopentylcarbonyl-4-oxidanylidene-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-2-(cyclopentanecarbonyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid CAS Name: 3-(4-cyanophenyl)-2-[cyclopentyl(oxo)methyl]-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid IUPAC Name: 3-(4-cyanophenyl)-2-(cyclopentanecarbonyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-2-(cyclopentanecarbonyl)-4-keto-3,3a,5,6,7,7a-hexahydro-1H-isoindole-1-carboxylic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)C(=O)N2C(C3C(C2C(=O)O)CCCC3=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N2O4/c23-12-13-8-10-14(11-9-13)19-18-16(6-3-7-17(18)25)20(22(27)28)24(19)21(26)15-4-1-2-5-15/h8-11,15-16,18-20H,1-7H2,(H,27,28)