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

Systemtic Name: 1-[2-[[2-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-5-methyl-anilino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[2-(cyclopropylmethoxy)-5-methylanilino]-2-oxoethyl]-5-[oxo-[[(1S,2S)-2-phenylmethoxycyclohexyl]amino]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[2-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-5-methyl-anilino]-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C31H36N4O6 MolecularWeight: 560.64074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2CC2)NC(=O)CN3C(=CC(=N3)C(=O)O)C(=O)NC4CCCCC4OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2CC2)NC(=O)CN3C(=CC(=N3)C(=O)O)C(=O)N[C@H]4CCCC[C@@H]4OCC5=CC=CC=C5

InChI

InChI=1S/C31H36N4O6/c1-20-11-14-28(41-19-22-12-13-22)24(15-20)32-29(36)17-35-26(16-25(34-35)31(38)39)30(37)33-23-9-5-6-10-27(23)40-18-21-7-3-2-4-8-21/h2-4,7-8,11,14-16,22-23,27H,5-6,9-10,12-13,17-19H2,1H3,(H,32,36)(H,33,37)(H,38,39)/t23-,27-/m0/s1