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

Systemtic Name: methyl 4-bromanyl-3-[[4-[2-cyclohexyl-5-[(Z)-3-ethoxy-2-methyl-3-oxidanylidene-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate Openeye Name: methyl 4-bromo-3-[[4-[2-cyclohexyl-5-[(Z)-3-ethoxy-2-methyl-3-oxo-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate CAS Name: 4-bromo-3-[[4-[2-cyclohexyl-5-[(Z)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]-3-pyrazolyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-[[4-[2-cyclohexyl-5-[(Z)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoate Traditional Name: 4-bromo-3-[[4-[2-cyclohexyl-5-[(Z)-3-ethoxy-3-keto-2-methyl-prop-1-enyl]pyrazol-3-yl]phenoxy]methyl]benzoic acid methyl ester Formula: C30H33BrN2O5 MolecularWeight: 581.49742

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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)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)Br)C4CCCCC4)/C

InChI

InChI=1S/C30H33BrN2O5/c1-4-37-29(34)20(2)16-24-18-28(33(32-24)25-8-6-5-7-9-25)21-10-13-26(14-11-21)38-19-23-17-22(30(35)36-3)12-15-27(23)31/h10-18,25H,4-9,19H2,1-3H3/b20-16-