5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(3,5-dimethyl-1-pyrazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=C(C=C2)NC(=O)C=C(C)C3=CC4=CC=CC=C4C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=C(C=C2)NC(=O)/C=C(\C)/C3=CC4=CC=CC=C4C=C3)C(=O)O)C

InChI

InChI=1S/C26H23N3O3/c1-16(20-9-8-19-6-4-5-7-21(19)14-20)12-25(30)27-24-11-10-22(15-23(24)26(31)32)29-18(3)13-17(2)28-29/h4-15H,1-3H3,(H,27,30)(H,31,32)/b16-12+