[2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [2-[[(2S)-6-methylheptan-2-yl]amino]-2-oxidanylidene-ethyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [2-[[(1S)-1,5-dimethylhexyl]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)-6-methylheptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-6-methylheptan-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-[[(1S)-1,5-dimethylhexyl]amino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-5-11-24-20(26)17-10-9-16(12-18(17)21(24)27)22(28)29-13-19(25)23-15(4)8-6-7-14(2)3/h5,9-10,12,14-15H,1,6-8,11,13H2,2-4H3,(H,23,25)/t15-/m0/s1