2-ethoxy-3-[4-[3-(5-oxidanylidene-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[3-(5-oxidanylidene-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-(5-oxo-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-(5-oxo-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-(5-oxo-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-(5-keto-6H-benzo[b][1]benzazepin-11-yl)propoxy]phenyl]propionic acid Formula: C28H29NO5 MolecularWeight: 459.53356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3CC(=O)C4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCCN2C3=CC=CC=C3CC(=O)C4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H29NO5/c1-2-33-27(28(31)32)18-20-12-14-22(15-13-20)34-17-7-16-29-24-10-5-3-8-21(24)19-26(30)23-9-4-6-11-25(23)29/h3-6,8-15,27H,2,7,16-19H2,1H3,(H,31,32)