5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoic acid Openeye Name: 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoic acid CAS Name: 5-chloro-2-methoxy-4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]benzoic acid Traditional Name: 4-[6-(tert-butoxycarbonylamino)hexylamino]-5-chloro-2-methoxy-benzoic acid Formula: C19H29ClN2O5 MolecularWeight: 400.89696

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)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O5/c1-19(2,3)27-18(25)22-10-8-6-5-7-9-21-15-12-16(26-4)13(17(23)24)11-14(15)20/h11-12,21H,5-10H2,1-4H3,(H,22,25)(H,23,24)