ethyl 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenylpyrazole-3-carboxylate Traditional Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-(cyclohexylmethyl)-5-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C27H29ClN2O4 MolecularWeight: 480.98316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1CC2=CC3=C(C=C2Cl)OCO3)C4=CC=CC=C4)CC5CCCCC5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1CC2=CC3=C(C=C2Cl)OCO3)C4=CC=CC=C4)CC5CCCCC5

InChI

InChI=1S/C27H29ClN2O4/c1-2-32-27(31)25-21(13-20-14-23-24(15-22(20)28)34-17-33-23)26(19-11-7-4-8-12-19)30(29-25)16-18-9-5-3-6-10-18/h4,7-8,11-12,14-15,18H,2-3,5-6,9-10,13,16-17H2,1H3