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

Systemtic Name: methyl (3S,4S)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-4-(3-ethyl-2-oxo-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: (3S,4S)-4-(3-ethyl-2-oxo-1-benzimidazolyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: (3S,4S)-4-(3-ethyl-2-keto-benzimidazol-1-yl)nipecotic acid methyl ester Formula: C16H21N3O3 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCNCC3C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3/c1-3-18-13-6-4-5-7-14(13)19(16(18)21)12-8-9-17-10-11(12)15(20)22-2/h4-7,11-12,17H,3,8-10H2,1-2H3/t11-,12-/m0/s1