4-[2-[bis(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoate

Systemtic Name: 4-[2-[bis(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoate Openeye Name: 4-[2-[bis(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoate CAS Name: 4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-methylbenzoate IUPAC Name: 4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-methylbenzoate Traditional Name: 4-[2-[bis(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoate Formula: C29H34NO6- MolecularWeight: 492.58336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CC(C)N(CC(COC2=CC=CC=C2)O)CC(COC3=CC=CC=C3)O)C(=O)[O-]

InChI

InChI=1S/C29H35NO6/c1-21-15-23(13-14-28(21)29(33)34)16-22(2)30(17-24(31)19-35-26-9-5-3-6-10-26)18-25(32)20-36-27-11-7-4-8-12-27/h3-15,22,24-25,31-32H,16-20H2,1-2H3,(H,33,34)/p-1