1-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-[4-[(E)-2-(2-furyl)vinyl]phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[4-[(E)-2-(2-furanyl)ethenyl]phenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[4-[(E)-2-(furan-2-yl)ethenyl]phenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-[4-[(E)-2-(2-furyl)vinyl]phenyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)C=CC4=CC=CO4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)/C=C/C4=CC=CO4)C(C)C

InChI

InChI=1S/C27H31N3O4/c1-18(2)30(26(31)21-11-6-19(3)7-12-21)25-24(27(32)33)17-29(28-25)22-13-8-20(9-14-22)10-15-23-5-4-16-34-23/h4-5,8-10,13-19,21H,6-7,11-12H2,1-3H3,(H,32,33)/b15-10+