ethyl 3,5-dimethyl-1-[4-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[[(1R,2R)-2-benzyloxycyclohexyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[4-[oxo-[[(1R,2R)-2-phenylmethoxycyclohexyl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-[4-[[(1R,2R)-2-phenylmethoxycyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 1-[4-[[(1R,2R)-2-benzoxycyclohexyl]carbamoyl]phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)NC3CCCCC3OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N[C@@H]3CCCC[C@H]3OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H33N3O4/c1-4-34-28(33)26-19(2)30-31(20(26)3)23-16-14-22(15-17-23)27(32)29-24-12-8-9-13-25(24)35-18-21-10-6-5-7-11-21/h5-7,10-11,14-17,24-25H,4,8-9,12-13,18H2,1-3H3,(H,29,32)/t24-,25-/m1/s1