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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(allylamino)-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-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 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-(allylamino)-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O4/c1-2-14-26-23(29)17-31-24(30)13-12-19-16-28(20-9-4-3-5-10-20)27-25(19)22-15-18-8-6-7-11-21(18)32-22/h2-13,15-16H,1,14,17H2,(H,26,29)