ethyl (3S)-1-(3H-benzimidazol-5-ylcarbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3H-benzimidazol-5-ylcarbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3H-benzimidazole-5-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[3H-benzimidazol-5-yl(oxo)methyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3H-benzimidazole-5-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3H-benzimidazole-5-carbonyl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)CCOC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-2-30-23(29)24(12-14-31-19-7-4-3-5-8-19)11-6-13-27(16-24)22(28)18-9-10-20-21(15-18)26-17-25-20/h3-5,7-10,15,17H,2,6,11-14,16H2,1H3,(H,25,26)/t24-/m0/s1