[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2-methylbenzimidazol-1-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2-methylbenzimidazol-1-yl)acetate CAS Name: 2-(2-methyl-1-benzimidazolyl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-methylbenzimidazol-1-yl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O3/c1-14-23-18-4-2-3-5-19(18)25(14)12-21(27)28-13-20(26)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-13H2,1H3,(H,24,26)