2-[[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethoxy]benzyl]malonic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCOC4=CC=C(C=C4)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCOC4=CC=C(C=C4)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO5/c28-25(29)22(26(30)31)17-18-9-13-21(14-10-18)32-16-15-27-23-7-3-1-5-19(23)11-12-20-6-2-4-8-24(20)27/h1-10,13-14,22H,11-12,15-17H2,(H,28,29)(H,30,31)