4-[2,2-bis[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]benzoic acid

Systemtic Name: 4-[2,2-bis[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]benzoic acid Openeye Name: 4-[2,2-bis[(2-hydroxy-2-phenyl-ethyl)amino]propyl]benzoic acid CAS Name: 4-[2,2-bis[(2-hydroxy-2-phenylethyl)amino]propyl]benzoic acid IUPAC Name: 4-[2,2-bis[(2-hydroxy-2-phenylethyl)amino]propyl]benzoic acid Traditional Name: 4-[2,2-bis[(2-hydroxy-2-phenyl-ethyl)amino]propyl]benzoic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)(NCC(C2=CC=CC=C2)O)NCC(C3=CC=CC=C3)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)(NCC(C2=CC=CC=C2)O)NCC(C3=CC=CC=C3)O

InChI

InChI=1S/C26H30N2O4/c1-26(16-19-12-14-22(15-13-19)25(31)32,27-17-23(29)20-8-4-2-5-9-20)28-18-24(30)21-10-6-3-7-11-21/h2-15,23-24,27-30H,16-18H2,1H3,(H,31,32)