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

Systemtic Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]-2-propoxy-propionic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H31NO4/c1-2-18-33-27(28(30)31)20-21-11-15-24(16-12-21)32-19-17-29-25-9-5-3-7-22(25)13-14-23-8-4-6-10-26(23)29/h3-12,15-16,27H,2,13-14,17-20H2,1H3,(H,30,31)