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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-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]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-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]amino]ethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-4-8-20-16(22)13-7-6-12(9-14(13)17(20)23)18(24)25-10-15(21)19-11(3)5-2/h4,6-7,9,11H,1,5,8,10H2,2-3H3,(H,19,21)/t11-/m0/s1