methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(1-phenethylimidazol-4-yl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-phenethyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenethylimidazol-4-yl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-phenethylimidazol-4-yl)propionic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)CCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-20(2,3)27-19(25)22-17(18(24)26-4)12-16-13-23(14-21-16)11-10-15-8-6-5-7-9-15/h5-9,13-14,17H,10-12H2,1-4H3,(H,22,25)