4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[benzyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]amino]-4-oxo-but-2-enoic acid CAS Name: 4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: 4-[benzyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]amino]-4-oxobut-2-enoic acid Traditional Name: 4-[benzyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]amino]-4-keto-but-2-enoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=NN2)CN(CC3=CC=CC=C3)C(=O)C=CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=NN2)CN(CC3=CC=CC=C3)C(=O)C=CC(=O)O

InChI

InChI=1S/C22H21N3O4/c1-29-19-9-7-17(8-10-19)22-18(13-23-24-22)15-25(20(26)11-12-21(27)28)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,23,24)(H,27,28)