[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-2-propenoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C=CC1=CN(C2=CC=CC=C21)CCC#N

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)/C=C/C1=CN(C2=CC=CC=C21)CCC#N

InChI

InChI=1S/C21H24N4O4/c1-21(2,3)24-20(28)23-18(26)14-29-19(27)10-9-15-13-25(12-6-11-22)17-8-5-4-7-16(15)17/h4-5,7-10,13H,6,12,14H2,1-3H3,(H2,23,24,26,28)/b10-9+