[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C=CC1=CN(N=C1C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O5/c1-18(2)15-28-27(34)29-24(32)17-35-25(33)13-12-20-16-31(21-9-4-3-5-10-21)30-26(20)23-14-19-8-6-7-11-22(19)36-23/h3-14,16,18H,15,17H2,1-2H3,(H2,28,29,32,34)