2-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(4-ethoxycarbonyl-3,5-dimethyl-1-pyrazolyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(4-carbethoxy-3,5-dimethyl-pyrazol-1-yl)phenyl]carbamoyl]benzoic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C22H21N3O5/c1-4-30-22(29)19-13(2)24-25(14(19)3)16-11-9-15(10-12-16)23-20(26)17-7-5-6-8-18(17)21(27)28/h5-12H,4H2,1-3H3,(H,23,26)(H,27,28)