[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3)C

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCCCC3)C

InChI

InChI=1S/C21H27N3O3/c1-14-15(2)23-20(22-14)16-9-11-17(12-10-16)21(26)27-13-19(25)24-18-7-5-3-4-6-8-18/h9-12,18H,3-8,13H2,1-2H3,(H,22,23)(H,24,25)