ethyl 3,5-dimethyl-1-[4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-[4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-benzyl-4-hydroxy-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-(4-benzyl-4-hydroxy-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)C(=O)N3CCC(CC3)(CC4=CC=CC=C4)O)C

InChI

InChI=1S/C27H31N3O4/c1-4-34-26(32)24-19(2)28-30(20(24)3)23-12-10-22(11-13-23)25(31)29-16-14-27(33,15-17-29)18-21-8-6-5-7-9-21/h5-13,33H,4,14-18H2,1-3H3