3-[4-(2-benzo[b][1,4]benzoxazepin-6-yloxyethoxy)phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-(2-benzo[b][1,4]benzoxazepin-6-yloxyethoxy)phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-(2-benzo[b][1,4]benzoxazepin-6-yloxyethoxy)phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[2-(6-benzo[b][1,4]benzoxazepinyloxy)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-(2-benzo[b][1,4]benzoxazepin-6-yloxyethoxy)phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-(2-benzo[b][1,4]benzoxazepin-6-yloxyethoxy)phenyl]-2-ethoxy-propionic acid Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCOC2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCOC2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C26H25NO6/c1-2-30-24(26(28)29)17-18-11-13-19(14-12-18)31-15-16-32-25-20-7-3-5-9-22(20)33-23-10-6-4-8-21(23)27-25/h3-14,24H,2,15-17H2,1H3,(H,28,29)