methyl 5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate

Systemtic Name: methyl 5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate Openeye Name: methyl 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoate CAS Name: 5-chloro-2-methoxy-4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoate Traditional Name: 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoic acid methyl ester Formula: C20H31ClN2O5 MolecularWeight: 414.92354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCNC1=C(C=C(C(=C1)OC)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCNC1=C(C=C(C(=C1)OC)C(=O)OC)Cl

InChI

InChI=1S/C20H31ClN2O5/c1-20(2,3)28-19(25)23-11-9-7-6-8-10-22-16-13-17(26-4)14(12-15(16)21)18(24)27-5/h12-13,22H,6-11H2,1-5H3,(H,23,25)