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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] (E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4/c1-4-18(2)26-23(29)17-32-24(30)15-12-20-16-28(21-8-6-5-7-9-21)27-25(20)19-10-13-22(31-3)14-11-19/h5-16,18H,4,17H2,1-3H3,(H,26,29)/b15-12+