ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-benzoyl]piperidine-3-carboxylate CAS Name: 1-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-methoxyphenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methoxybenzoyl]piperidine-3-carboxylate Traditional Name: 1-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-benzoyl]nipecotic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)OC)C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CC(=C2)OC)C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O4/c1-5-34-27(32)20-10-9-15-29(17-20)26(31)24-16-22(33-4)13-14-23(24)25-18(2)28-30(19(25)3)21-11-7-6-8-12-21/h6-8,11-14,16,20H,5,9-10,15,17H2,1-4H3