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

Systemtic Name: pentyl 4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)C

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)C

InChI

InChI=1S/C21H25NO4/c1-3-4-5-12-26-21(25)15-7-9-16(10-8-15)22-19(23)17-11-6-14(2)13-18(17)20(22)24/h6-10,17-18H,3-5,11-13H2,1-2H3