tert-butyl 2-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-methyl-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[[3-(1H-imidazol-5-yl)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-3-methyl-4-phenyl-butanoate Openeye Name: tert-butyl 2-[[2-benzyloxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-3-methyl-4-phenyl-butanoate CAS Name: 2-[[3-(1H-imidazol-5-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-methyl-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(1H-imidazol-5-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-3-methyl-4-phenylbutanoate Traditional Name: 2-[[2-benzoxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-3-methyl-4-phenyl-butyric acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(C(=O)OC(C)(C)C)NC(CC2=CN=CN2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=CC=C1)C(C(=O)OC(C)(C)C)NC(CC2=CN=CN2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H35N3O4/c1-20(15-21-11-7-5-8-12-21)25(27(33)35-28(2,3)4)31-24(16-23-17-29-19-30-23)26(32)34-18-22-13-9-6-10-14-22/h5-14,17,19-20,24-25,31H,15-16,18H2,1-4H3,(H,29,30)