ethyl 1-[2-(2,4-dimethylphenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(2,4-dimethylphenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,4-dimethylphenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=C(C=C3)C)C)C4=CC=CO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=C(C=C(C=C3)C)C)C4=CC=CO4

InChI

InChI=1S/C24H27N3O4/c1-4-30-24(29)18-9-11-26(12-10-18)23(28)21-15-19(22-6-5-13-31-22)25-27(21)20-8-7-16(2)14-17(20)3/h5-8,13-15,18H,4,9-12H2,1-3H3