1-[2-[[2-(cyclopentylmethoxy)-5-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[[2-(cyclopentylmethoxy)-5-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid Openeye Name: 5-[[(1S,2S)-2-benzyloxycyclohexyl]carbamoyl]-1-[2-[2-(cyclopentylmethoxy)-5-methyl-anilino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[2-(cyclopentylmethoxy)-5-methylanilino]-2-oxoethyl]-5-[oxo-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[2-(cyclopentylmethoxy)-5-methylanilino]-2-oxoethyl]-5-[[(1S,2S)-2-phenylmethoxycyclohexyl]carbamoyl]pyrazole-3-carboxylic acid Traditional Name: 5-[[(1S,2S)-2-benzoxycyclohexyl]carbamoyl]-1-[2-[2-(cyclopentylmethoxy)-5-methyl-anilino]-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C33H40N4O6 MolecularWeight: 588.6939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2CCCC2)NC(=O)CN3C(=CC(=N3)C(=O)O)C(=O)NC4CCCCC4OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2CCCC2)NC(=O)CN3C(=CC(=N3)C(=O)O)C(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5

InChI

InChI=1S/C33H40N4O6/c1-22-15-16-30(43-21-24-11-5-6-12-24)26(17-22)34-31(38)19-37-28(18-27(36-37)33(40)41)32(39)35-25-13-7-8-14-29(25)42-20-23-9-3-2-4-10-23/h2-4,9-10,15-18,24-25,29H,5-8,11-14,19-21H2,1H3,(H,34,38)(H,35,39)(H,40,41)/t25-,29-/m0/s1