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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)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-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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