(5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=NC=C(N2C)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=NC=C(N2C)Cl

InChI

InChI=1S/C17H20ClN3O4/c1-17(2,3)25-16(23)20-12-7-5-6-11(8-12)15(22)24-10-14-19-9-13(18)21(14)4/h5-9H,10H2,1-4H3,(H,20,23)