[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5/c1-31-20-10-5-9-19(13-20)24-22(16-28(27-24)15-18-7-3-2-4-8-18)25(30)33-17-23(29)26-14-21-11-6-12-32-21/h2-13,16H,14-15,17H2,1H3,(H,26,29)