1-[2-[cyclohexyl(phenylmethoxy)amino]-2-oxidanylidene-ethyl]-5-(pyridin-3-ylmethoxy)pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[cyclohexyl(phenylmethoxy)amino]-2-oxidanylidene-ethyl]-5-(pyridin-3-ylmethoxy)pyrazole-3-carboxylic acid Openeye Name: 1-[2-[benzyloxy(cyclohexyl)amino]-2-oxo-ethyl]-5-(3-pyridylmethoxy)pyrazole-3-carboxylic acid CAS Name: 1-[2-[cyclohexyl(phenylmethoxy)amino]-2-oxoethyl]-5-(3-pyridinylmethoxy)-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[cyclohexyl(phenylmethoxy)amino]-2-oxoethyl]-5-(pyridin-3-ylmethoxy)pyrazole-3-carboxylic acid Traditional Name: 1-[2-[benzoxy(cyclohexyl)amino]-2-keto-ethyl]-5-(3-pyridylmethoxy)pyrazole-3-carboxylic acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C(=O)CN2C(=CC(=N2)C(=O)O)OCC3=CN=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C(=O)CN2C(=CC(=N2)C(=O)O)OCC3=CN=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5/c30-23(29(21-11-5-2-6-12-21)34-18-19-8-3-1-4-9-19)16-28-24(14-22(27-28)25(31)32)33-17-20-10-7-13-26-15-20/h1,3-4,7-10,13-15,21H,2,5-6,11-12,16-18H2,(H,31,32)