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

Systemtic Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoate CAS Name: 5-(3,5-dimethyl-1-pyrazolyl)-2-[[(E)-3-(2-naphthalenyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-naphthalen-2-ylbut-2-enoyl]amino]benzoate Traditional Name: 5-(3,5-dimethylpyrazol-1-yl)-2-[[(E)-3-(2-naphthyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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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)OC)C

Isomeric SMILES

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

InChI

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