[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C23H18ClNO5 MolecularWeight: 423.84572

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClNO5/c24-16-10-8-14(9-11-16)20(26)13-30-23(29)15-4-3-5-17(12-15)25-21(27)18-6-1-2-7-19(18)22(25)28/h1-5,8-12,18-19H,6-7,13H2