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

Systemtic Name: butyl 3-[5-methyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: butyl 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid butyl ester IUPAC Name: butyl 3-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-5-methyl-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid butyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-3-4-10-25-20(24)14-6-5-7-15(12-14)21-18(22)16-9-8-13(2)11-17(16)19(21)23/h5-8,12,16-17H,3-4,9-11H2,1-2H3