[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-cyclopentanecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentanecarboxylic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1(CCCC1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1(CCCC1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H30N2O6/c1-15(2)7-10-23-21(27)24-19(25)14-30-20(26)22(8-3-4-9-22)16-5-6-17-18(13-16)29-12-11-28-17/h5-6,13,15H,3-4,7-12,14H2,1-2H3,(H2,23,24,25,27)