(6-chloranylpyridin-3-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: (6-chloro-3-pyridyl)methyl 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid (6-chloro-3-pyridyl)methyl ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CN=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CN=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN2O4/c1-19(2,3)26-18(24)22-10-13-4-7-15(8-5-13)17(23)25-12-14-6-9-16(20)21-11-14/h4-9,11H,10,12H2,1-3H3,(H,22,24)