2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate

Systemtic Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate Openeye Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate CAS Name: 2-[2,6-dimethyl-4-[(1-phenyl-3-pyrazolyl)amino]phenyl]butanoate IUPAC Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butanoate Traditional Name: 2-[2,6-dimethyl-4-[(1-phenylpyrazol-3-yl)amino]phenyl]butyrate Formula: C21H22N3O2- MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1C)NC2=NN(C=C2)C3=CC=CC=C3)C)C(=O)[O-]

Isomeric SMILES

CCC(C1=C(C=C(C=C1C)NC2=NN(C=C2)C3=CC=CC=C3)C)C(=O)[O-]

InChI

InChI=1S/C21H23N3O2/c1-4-18(21(25)26)20-14(2)12-16(13-15(20)3)22-19-10-11-24(23-19)17-8-6-5-7-9-17/h5-13,18H,4H2,1-3H3,(H,22,23)(H,25,26)/p-1