[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H24N4O4 MolecularWeight: 384.42896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C=CC1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-20(2,3)23-19(27)22-17(25)14-28-18(26)10-9-16-11-21-24(13-16)12-15-7-5-4-6-8-15/h4-11,13H,12,14H2,1-3H3,(H2,22,23,25,27)/b10-9+