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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [2-(isopropylcarbamoylamino)-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-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]acrylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-14(2)22-20(27)23-18(25)13-28-19(26)9-8-15-12-24(11-5-10-21)17-7-4-3-6-16(15)17/h3-4,6-9,12,14H,5,11,13H2,1-2H3,(H2,22,23,25,27)/b9-8+