3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-phenylmethoxy-propanoic acid

Systemtic Name: 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-phenylmethoxy-propanoic acid Openeye Name: 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-benzyloxy-propanoic acid CAS Name: 3-[4-[2-(11-benzo[b][1]benzazepinyl)ethoxy]phenyl]-2-phenylmethoxypropanoic acid IUPAC Name: 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-phenylmethoxypropanoic acid Traditional Name: 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-benzoxy-propionic acid Formula: C32H29NO4 MolecularWeight: 491.57696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C32H29NO4/c34-32(35)31(37-23-25-8-2-1-3-9-25)22-24-14-18-28(19-15-24)36-21-20-33-29-12-6-4-10-26(29)16-17-27-11-5-7-13-30(27)33/h1-19,31H,20-23H2,(H,34,35)