ethyl (3S)-1-(4-imidazol-1-ylphenyl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-imidazol-1-ylphenyl)carbonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(4-imidazol-1-ylbenzoyl)nipecotic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-2-31-24(30)25(17-20-7-4-3-5-8-20)13-6-15-27(18-25)23(29)21-9-11-22(12-10-21)28-16-14-26-19-28/h3-5,7-12,14,16,19H,2,6,13,15,17-18H2,1H3/t25-/m0/s1