tert-butyl 4-bromanyl-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate

Systemtic Name: tert-butyl 4-bromanyl-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate Openeye Name: tert-butyl 4-bromo-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-2-methyl-3-oxo-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate CAS Name: 4-bromo-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-3-pyrazolyl]phenoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-bromo-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate Traditional Name: 4-bromo-3-[[4-[2-cyclohexyl-5-[(E)-3-ethoxy-3-keto-2-methyl-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoic acid tert-butyl ester Formula: C33H39BrN2O5 MolecularWeight: 623.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=NN(C(=C1)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)C(=O)OC(C)(C)C)Br)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=NN(C(=C1)C2=CC=C(C=C2)OCC3=C(C=CC(=C3)C(=O)OC(C)(C)C)Br)C4CCCCC4)/C

InChI

InChI=1S/C33H39BrN2O5/c1-6-39-31(37)22(2)18-26-20-30(36(35-26)27-10-8-7-9-11-27)23-12-15-28(16-13-23)40-21-25-19-24(14-17-29(25)34)32(38)41-33(3,4)5/h12-20,27H,6-11,21H2,1-5H3/b22-18+