methyl 3-[3,5-dimethyl-1-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylphenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[1-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[4-[(4-hydroxy-4-phenyl-1-piperidinyl)-oxomethyl]phenyl]-3,5-dimethyl-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[4-(4-hydroxy-4-phenyl-piperidine-1-carbonyl)phenyl]-3,5-dimethyl-pyrazol-4-yl]propionic acid methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)O)C)CCC(=O)OC

InChI

InChI=1S/C27H31N3O4/c1-19-24(13-14-25(31)34-3)20(2)30(28-19)23-11-9-21(10-12-23)26(32)29-17-15-27(33,16-18-29)22-7-5-4-6-8-22/h4-12,33H,13-18H2,1-3H3