2-[[4-[[3-butyl-5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[[3-butyl-5-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[[3-butyl-5-(2-ethoxy-2-oxo-ethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[3-butyl-5-(2-ethoxy-2-oxoethoxy)-1-methyl-4-pyrazolyl]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[[3-butyl-5-(2-ethoxy-2-oxoethoxy)-1-methylpyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[3-butyl-5-(2-ethoxy-2-keto-ethoxy)-1-methyl-pyrazol-4-yl]methyl]phenyl]carbamoyl]benzoic acid Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OCC(=O)OCC)C

Isomeric SMILES

CCCCC1=NN(C(=C1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)OCC(=O)OCC)C

InChI

InChI=1S/C27H31N3O6/c1-4-6-11-23-22(26(30(3)29-23)36-17-24(31)35-5-2)16-18-12-14-19(15-13-18)28-25(32)20-9-7-8-10-21(20)27(33)34/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,28,32)(H,33,34)