3-(2-ethoxyethyl)-6-methyl-1-phenylmethoxycarbonyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid

Systemtic Name: 3-(2-ethoxyethyl)-6-methyl-1-phenylmethoxycarbonyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid Openeye Name: 1-benzyloxycarbonyl-3-(2-ethoxyethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid CAS Name: 3-(2-ethoxyethyl)-6-methyl-1-phenylmethoxycarbonyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-(2-ethoxyethyl)-6-methyl-1-phenylmethoxycarbonyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid Traditional Name: 1-carbobenzoxy-3-(2-ethoxyethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridazine-5-carboxylic acid Formula: C25H25F3N2O5 MolecularWeight: 490.47161

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC1=NN(C(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOCCC1=NN(C(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25F3N2O5/c1-3-34-14-13-20-22(18-11-7-8-12-19(18)25(26,27)28)21(23(31)32)16(2)30(29-20)24(33)35-15-17-9-5-4-6-10-17/h4-12,22H,3,13-15H2,1-2H3,(H,31,32)