cyclohexyl 4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: cyclohexyl 4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: cyclohexyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-5-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid cyclohexyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C22H25NO4/c1-14-7-12-18-19(13-14)21(25)23(20(18)24)16-10-8-15(9-11-16)22(26)27-17-5-3-2-4-6-17/h7-11,17-19H,2-6,12-13H2,1H3