(3-ethoxycarbonylfuran-2-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O5/c1-4-26-20(24)17-10-11-27-18(17)13-28-21(25)19-14(2)22-23(15(19)3)12-16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3