ethyl 4-[(3-methoxyphenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(1-methyl-3-pyrazol-1-yl-propyl)piperidine-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[4-(1-pyrazolyl)butan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine-4-carboxylate Traditional Name: 4-m-anisyl-1-(1-methyl-3-pyrazol-1-yl-propyl)isonipecotic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(C)CCN2C=CC=N2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H33N3O3/c1-4-29-22(27)23(18-20-7-5-8-21(17-20)28-3)10-15-25(16-11-23)19(2)9-14-26-13-6-12-24-26/h5-8,12-13,17,19H,4,9-11,14-16,18H2,1-3H3