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

Systemtic Name: 4-[2-[bis(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoic acid Openeye Name: 4-[2-[bis(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoic acid CAS Name: 4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-methylbenzoic acid IUPAC Name: 4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]-2-methylbenzoic acid Traditional Name: 4-[2-[bis(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2-methyl-benzoic acid Formula: C29H35NO6 MolecularWeight: 493.5913

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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)