tert-butyl 3-[1-[[2-(2-imidazol-1-yl-2-oxidanylidene-ethyl)phenyl]amino]ethyl]cyclopentane-1-carboxylate

Systemtic Name: tert-butyl 3-[1-[[2-(2-imidazol-1-yl-2-oxidanylidene-ethyl)phenyl]amino]ethyl]cyclopentane-1-carboxylate Openeye Name: tert-butyl 3-[1-[2-(2-imidazol-1-yl-2-oxo-ethyl)anilino]ethyl]cyclopentanecarboxylate CAS Name: 3-[1-[2-[2-(1-imidazolyl)-2-oxoethyl]anilino]ethyl]-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[2-(2-imidazol-1-yl-2-oxoethyl)anilino]ethyl]cyclopentane-1-carboxylate Traditional Name: 3-[1-[2-(2-imidazol-1-yl-2-keto-ethyl)anilino]ethyl]cyclopentanecarboxylic acid tert-butyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC(C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2CC(=O)N3C=CN=C3

Isomeric SMILES

CC(C1CCC(C1)C(=O)OC(C)(C)C)NC2=CC=CC=C2CC(=O)N3C=CN=C3

InChI

InChI=1S/C23H31N3O3/c1-16(17-9-10-19(13-17)22(28)29-23(2,3)4)25-20-8-6-5-7-18(20)14-21(27)26-12-11-24-15-26/h5-8,11-12,15-17,19,25H,9-10,13-14H2,1-4H3