ethyl 4-phenethyl-1-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-phenethyl-1-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-isopropylimidazol-1-yl)propanoyl]-4-phenethyl-piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(2-propan-2-yl-1-imidazolyl)propyl]-4-phenethyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenethyl-1-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-isopropylimidazol-1-yl)propanoyl]-4-phenethyl-isonipecotic acid ethyl ester Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C(C)N2C=CN=C2C(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C(C)N2C=CN=C2C(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O3/c1-5-31-24(30)25(12-11-21-9-7-6-8-10-21)13-16-27(17-14-25)23(29)20(4)28-18-15-26-22(28)19(2)3/h6-10,15,18-20H,5,11-14,16-17H2,1-4H3