4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]-4-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3,5-dimethyl-1-(3-phenoxybenzyl)pyrazol-4-yl]amino]-4-keto-butyrate Formula: C22H22N3O4- MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-15-22(23-20(26)11-12-21(27)28)16(2)25(24-15)14-17-7-6-10-19(13-17)29-18-8-4-3-5-9-18/h3-10,13H,11-12,14H2,1-2H3,(H,23,26)(H,27,28)/p-1