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

Systemtic Name: 1-[2-oxidanylidene-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-5-phenylmethoxy-pyrazole-3-carboxylic acid Openeye Name: 5-benzyloxy-1-[2-[(2-benzyloxycyclohexyl)amino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-5-phenylmethoxy-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-[(2-phenylmethoxycyclohexyl)amino]ethyl]-5-phenylmethoxypyrazole-3-carboxylic acid Traditional Name: 5-benzoxy-1-[2-[(2-benzoxycyclohexyl)amino]-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)CN2C(=CC(=N2)C(=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)NC(=O)CN2C(=CC(=N2)C(=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5/c30-24(27-21-13-7-8-14-23(21)33-17-19-9-3-1-4-10-19)16-29-25(15-22(28-29)26(31)32)34-18-20-11-5-2-6-12-20/h1-6,9-12,15,21,23H,7-8,13-14,16-18H2,(H,27,30)(H,31,32)