3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-(6H-benzo[c][1,5]benzoxazepin-11-ylmethoxy)phenyl]-2-ethoxy-propionic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3COC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCN2C3=CC=CC=C3COC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)15-18-11-13-20(14-12-18)31-17-26-21-8-4-3-7-19(21)16-30-23-10-6-5-9-22(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)