cyclohexyl (E)-3-[3-[(E)-3-cyclohexyloxy-3-oxidanylidene-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate

Systemtic Name: cyclohexyl (E)-3-[3-[(E)-3-cyclohexyloxy-3-oxidanylidene-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate Openeye Name: cyclohexyl (E)-3-[3-[(E)-3-(cyclohexoxy)-3-oxo-prop-1-enyl]-2-pyrazol-1-yl-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-cyclohexyloxy-3-oxoprop-1-enyl]-2-(1-pyrazolyl)phenyl]-2-propenoic acid cyclohexyl ester IUPAC Name: cyclohexyl (E)-3-[3-[(E)-3-cyclohexyloxy-3-oxoprop-1-enyl]-2-pyrazol-1-ylphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-(cyclohexoxy)-3-keto-prop-1-enyl]-2-pyrazol-1-yl-phenyl]acrylic acid cyclohexyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C=CC2=C(C(=CC=C2)C=CC(=O)OC3CCCCC3)N4C=CC=N4

Isomeric SMILES

C1CCC(CC1)OC(=O)/C=C/C2=C(C(=CC=C2)/C=C/C(=O)OC3CCCCC3)N4C=CC=N4

InChI

InChI=1S/C27H32N2O4/c30-25(32-23-11-3-1-4-12-23)17-15-21-9-7-10-22(27(21)29-20-8-19-28-29)16-18-26(31)33-24-13-5-2-6-14-24/h7-10,15-20,23-24H,1-6,11-14H2/b17-15+,18-16+