5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(3-methyl-5-phenyl-1-pyrazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(3-methyl-5-phenylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(3-methyl-5-phenyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C31H25N3O3 MolecularWeight: 487.5485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)NC(=O)C=C(C)C4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)NC(=O)/C=C(\C)/C4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C31H25N3O3/c1-20(24-13-12-22-8-6-7-11-25(22)18-24)16-30(35)32-28-15-14-26(19-27(28)31(36)37)34-29(17-21(2)33-34)23-9-4-3-5-10-23/h3-19H,1-2H3,(H,32,35)(H,36,37)/b20-16+