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

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate CAS Name: 4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 4-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Traditional Name: 4-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O

InChI

InChI=1S/C24H22N2O5/c1-15-5-4-6-17(13-15)25-21(27)14-31-24(30)16-9-11-18(12-10-16)26-22(28)19-7-2-3-8-20(19)23(26)29/h2-6,9-13,19-20H,7-8,14H2,1H3,(H,25,27)/t19-,20-/m0/s1