(E)-3-[2-cyclohexyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-cyclohexyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-cyclohexyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-cyclohexyl-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyrazol-5-yl]-2-propenoic acid IUPAC Name: (E)-3-[2-cyclohexyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-phenyl-1H-pyrazol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-cyclohexyl-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-phenyl-3-pyrazolin-3-yl]acrylic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C3C=CC(=O)C=C3)C(=C(N2)C=CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=C3C=CC(=O)C=C3)C(=C(N2)/C=C/C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O3/c27-20-13-11-18(12-14-20)24-23(17-7-3-1-4-8-17)21(15-16-22(28)29)25-26(24)19-9-5-2-6-10-19/h1,3-4,7-8,11-16,19,25H,2,5-6,9-10H2,(H,28,29)/b16-15+