ethyl (3R)-1-(4-imidazol-1-ylphenyl)carbonyl-3-phenethyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(4-imidazol-1-ylphenyl)carbonyl-3-phenethyl-piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-(4-imidazol-1-ylbenzoyl)-3-phenethyl-piperidine-3-carboxylate CAS Name: (3R)-1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-3-phenethyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(4-imidazol-1-ylbenzoyl)-3-phenethylpiperidine-3-carboxylate Traditional Name: (3R)-1-(4-imidazol-1-ylbenzoyl)-3-phenethyl-nipecotic acid ethyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-2-32-25(31)26(15-13-21-7-4-3-5-8-21)14-6-17-28(19-26)24(30)22-9-11-23(12-10-22)29-18-16-27-20-29/h3-5,7-12,16,18,20H,2,6,13-15,17,19H2,1H3/t26-/m0/s1