[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 1,3-dioxo-2-(tetrahydrofuran-2-ylmethyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(2-oxolanylmethyl)-5-isoindolecarboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(tetrahydrofurfuryl)isoindoline-5-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O7 MolecularWeight: 431.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3CCCO3

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3CCCO3

InChI

InChI=1S/C21H25N3O7/c1-2-3-8-22-21(29)23-17(25)12-31-20(28)13-6-7-15-16(10-13)19(27)24(18(15)26)11-14-5-4-9-30-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H2,22,23,25,29)