methyl 1-[2-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]carbonyloxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbonyl]oxyacetyl]isonipecotic acid methyl ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCC(CC3)C(=O)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O5/c1-18-9-10-22(19(2)15-18)25-23(16-30(28-25)21-7-5-4-6-8-21)27(33)35-17-24(31)29-13-11-20(12-14-29)26(32)34-3/h4-10,15-16,20H,11-14,17H2,1-3H3