methyl (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-1-benzimidazolyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: (3S,4S)-1-(cyclooctylmethyl)-4-(3-ethyl-2-keto-benzimidazol-1-yl)nipecotic acid methyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OC)CC4CCCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCN(C[C@@H]3C(=O)OC)CC4CCCCCCC4

InChI

InChI=1S/C25H37N3O3/c1-3-27-22-13-9-10-14-23(22)28(25(27)30)21-15-16-26(18-20(21)24(29)31-2)17-19-11-7-5-4-6-8-12-19/h9-10,13-14,19-21H,3-8,11-12,15-18H2,1-2H3/t20-,21-/m0/s1