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

Systemtic Name: (4-methylphenyl) 3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]benzoate Openeye Name: p-tolyl 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate CAS Name: 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid p-tolyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CCCCC4C3=O

InChI

InChI=1S/C22H21NO4/c1-14-9-11-17(12-10-14)27-22(26)15-5-4-6-16(13-15)23-20(24)18-7-2-3-8-19(18)21(23)25/h4-6,9-13,18-19H,2-3,7-8H2,1H3