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

Systemtic Name: methyl 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 5-(2-ethyl-4-methyl-1-imidazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-(2-ethyl-4-methylimidazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 5-(2-ethyl-4-methyl-imidazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3/c1-5-26-29-19(3)17-31(26)23-12-13-25(24(16-23)28(33)34-4)30-27(32)14-18(2)21-11-10-20-8-6-7-9-22(20)15-21/h6-17H,5H2,1-4H3,(H,30,32)/b18-14+