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

Systemtic Name: ethyl 3,5-dimethyl-1-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylphenyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(4-hydroxy-4-phenyl-1-piperidinyl)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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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)(C4=CC=CC=C4)O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-4-33-25(31)23-18(2)27-29(19(23)3)22-12-10-20(11-13-22)24(30)28-16-14-26(32,15-17-28)21-8-6-5-7-9-21/h5-13,32H,4,14-17H2,1-3H3