methyl 3-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidin-1-yl]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidin-1-yl]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]-1-piperidyl]-2,2-dimethyl-propanoate CAS Name: 3-[4-[4-(3-methoxy-1-pyrazolyl)-3-methylphenyl]-1-piperidinyl]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(3-methoxypyrazol-1-yl)-3-methylphenyl]piperidin-1-yl]-2,2-dimethylpropanoate Traditional Name: 3-[4-[4-(3-methoxypyrazol-1-yl)-3-methyl-phenyl]piperidino]-2,2-dimethyl-propionic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)CC(C)(C)C(=O)OC)N3C=CC(=N3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)CC(C)(C)C(=O)OC)N3C=CC(=N3)OC

InChI

InChI=1S/C22H31N3O3/c1-16-14-18(6-7-19(16)25-13-10-20(23-25)27-4)17-8-11-24(12-9-17)15-22(2,3)21(26)28-5/h6-7,10,13-14,17H,8-9,11-12,15H2,1-5H3