[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC=C

InChI

InChI=1S/C19H21N3O6/c1-4-8-22-16(24)13-7-6-12(9-14(13)17(22)25)18(26)28-10-15(23)21-19(27)20-11(3)5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H2,20,21,23,27)/t11-/m0/s1