tert-butyl 4-[2-(2,4-dimethylphenyl)-4-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2,4-dimethylphenyl)-4-[(4-ethoxycarbonylanilino)-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,4-dimethylphenyl)-4-[(4-ethoxycarbonylphenyl)carbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(4-carbethoxyphenyl)carbamoyl]-2-(2,4-dimethylphenyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H38N4O5 MolecularWeight: 546.65722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)C)C)C4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H38N4O5/c1-7-39-29(37)23-9-11-24(12-10-23)33-28(36)25-19-32-35(26-13-8-20(2)18-21(26)3)27(25)22-14-16-34(17-15-22)30(38)40-31(4,5)6/h8-13,18-19,22H,7,14-17H2,1-6H3,(H,33,36)