(E)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-amino]but-2-enoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C22H21N3O4/c1-24(20(26)12-13-21(27)28)14-17-15-25(18-6-4-3-5-7-18)23-22(17)16-8-10-19(29-2)11-9-16/h3-13,15H,14H2,1-2H3,(H,27,28)/b13-12+