(E)-3-(2-azanyl-3-phenyl-phenyl)-2-methyl-4-(1-methylpyrazol-4-yl)but-2-enoic acid

Systemtic Name: (E)-3-(2-azanyl-3-phenyl-phenyl)-2-methyl-4-(1-methylpyrazol-4-yl)but-2-enoic acid Openeye Name: (E)-3-(2-amino-3-phenyl-phenyl)-2-methyl-4-(1-methylpyrazol-4-yl)but-2-enoic acid CAS Name: (E)-3-(2-amino-3-phenylphenyl)-2-methyl-4-(1-methyl-4-pyrazolyl)-2-butenoic acid IUPAC Name: (E)-3-(2-amino-3-phenylphenyl)-2-methyl-4-(1-methylpyrazol-4-yl)but-2-enoic acid Traditional Name: (E)-3-(2-amino-3-phenyl-phenyl)-2-methyl-4-(1-methylpyrazol-4-yl)but-2-enoic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC1=CN(N=C1)C)C2=CC=CC(=C2N)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C/C(=C(/CC1=CN(N=C1)C)\C2=CC=CC(=C2N)C3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C21H21N3O2/c1-14(21(25)26)19(11-15-12-23-24(2)13-15)18-10-6-9-17(20(18)22)16-7-4-3-5-8-16/h3-10,12-13H,11,22H2,1-2H3,(H,25,26)/b19-14+