5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid

Systemtic Name: 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Openeye Name: 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid CAS Name: 5-(2-ethyl-4-methyl-1-imidazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 5-(2-ethyl-4-methylimidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoic acid Traditional Name: 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C2=CC(=C(C=C2)NC(=O)C=C(C)C3=CC4=CC=CC=C4C=C3)C(=O)O)C

Isomeric SMILES

CCC1=NC(=CN1C2=CC(=C(C=C2)NC(=O)/C=C(\C)/C3=CC4=CC=CC=C4C=C3)C(=O)O)C

InChI

InChI=1S/C27H25N3O3/c1-4-25-28-18(3)16-30(25)22-11-12-24(23(15-22)27(32)33)29-26(31)13-17(2)20-10-9-19-7-5-6-8-21(19)14-20/h5-16H,4H2,1-3H3,(H,29,31)(H,32,33)/b17-13+