3,6-bis(chloranyl)-2-[[4-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-(2-ethoxy-2-oxidanylidene-ethyl)-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 3,6-bis(chloranyl)-2-[[4-[[5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-(2-ethoxy-2-oxidanylidene-ethyl)-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 3,6-dichloro-2-[[4-[[5-(2-ethoxy-2-oxo-ethoxy)-1-(2-ethoxy-2-oxo-ethyl)-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid CAS Name: 3,6-dichloro-2-[[4-[[5-(2-ethoxy-2-oxoethoxy)-1-(2-ethoxy-2-oxoethyl)-3-propyl-4-pyrazolyl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 3,6-dichloro-2-[[4-[[5-(2-ethoxy-2-oxoethoxy)-1-(2-ethoxy-2-oxoethyl)-3-propylpyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 3,6-dichloro-2-[[4-[[5-(2-ethoxy-2-keto-ethoxy)-1-(2-ethoxy-2-keto-ethyl)-3-propyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C29H31Cl2N3O8 MolecularWeight: 620.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3C(=O)O)Cl)Cl)OCC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3C(=O)O)Cl)Cl)OCC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C29H31Cl2N3O8/c1-4-7-22-19(28(42-16-24(36)41-6-3)34(33-22)15-23(35)40-5-2)14-17-8-10-18(11-9-17)32-27(37)25-20(30)12-13-21(31)26(25)29(38)39/h8-13H,4-7,14-16H2,1-3H3,(H,32,37)(H,38,39)