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

Systemtic Name: 5-(5-tert-butyl-3-methyl-pyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(5-tert-butyl-3-methyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(5-tert-butyl-3-methyl-1-pyrazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(5-tert-butyl-3-methylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(5-tert-butyl-3-methyl-pyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(C)(C)C)C2=CC(=C(C=C2)NC(=O)C=C(C)C3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)C(C)(C)C)C2=CC(=C(C=C2)NC(=O)/C=C(\C)/C3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C29H29N3O3/c1-18(21-11-10-20-8-6-7-9-22(20)16-21)14-27(33)30-25-13-12-23(17-24(25)28(34)35)32-26(29(3,4)5)15-19(2)31-32/h6-17H,1-5H3,(H,30,33)(H,34,35)/b18-14+