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

Systemtic Name: 2-heptoxy-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 2-heptoxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid CAS Name: 2-heptoxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid IUPAC Name: 2-heptoxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid Traditional Name: 2-heptoxy-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Formula: C31H39NO4 MolecularWeight: 489.64566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C31H39NO4/c1-3-4-5-6-10-19-36-30-21-27(17-18-28(30)31(34)35)25-15-13-24(14-16-25)20-23(2)32-22-29(33)26-11-8-7-9-12-26/h7-9,11-18,21,23,29,32-33H,3-6,10,19-20,22H2,1-2H3,(H,34,35)