[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O

InChI

InChI=1S/C24H24N2O5/c1-15-7-2-5-12-20(15)25-21(27)14-31-24(30)16-8-6-9-17(13-16)26-22(28)18-10-3-4-11-19(18)23(26)29/h2,5-9,12-13,18-19H,3-4,10-11,14H2,1H3,(H,25,27)/t18-,19-/m0/s1