3-methoxy-4-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]methylamino]benzoic acid

Systemtic Name: 3-methoxy-4-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]methylamino]benzoic acid Openeye Name: 4-[[2-[3-(tert-butoxycarbonylamino)propoxy]phenyl]methylamino]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]phenyl]methylamino]benzoic acid IUPAC Name: 3-methoxy-4-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]methylamino]benzoic acid Traditional Name: 4-[[2-[3-(tert-butoxycarbonylamino)propoxy]benzyl]amino]-3-methoxy-benzoic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=CC=CC=C1CNC2=C(C=C(C=C2)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=CC=CC=C1CNC2=C(C=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C23H30N2O6/c1-23(2,3)31-22(28)24-12-7-13-30-19-9-6-5-8-17(19)15-25-18-11-10-16(21(26)27)14-20(18)29-4/h5-6,8-11,14,25H,7,12-13,15H2,1-4H3,(H,24,28)(H,26,27)