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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(sec-butylamino)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-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-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-keto-2-(sec-butylamino)ethyl] ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O4/c1-3-18(2)27-24(30)17-32-25(31)14-13-20-16-29(21-10-5-4-6-11-21)28-26(20)23-15-19-9-7-8-12-22(19)33-23/h4-16,18H,3,17H2,1-2H3,(H,27,30)