4-[2-[2-(3-phenylazulen-1-yl)ethanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[2-[2-(3-phenylazulen-1-yl)ethanoylamino]phenoxy]butanoic acid Openeye Name: 4-[2-[[2-(3-phenylazulen-1-yl)acetyl]amino]phenoxy]butanoic acid CAS Name: 4-[2-[[1-oxo-2-(3-phenyl-1-azulenyl)ethyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-[[2-(3-phenylazulen-1-yl)acetyl]amino]phenoxy]butanoic acid Traditional Name: 4-[2-[[2-(3-phenylazulen-1-yl)acetyl]amino]phenoxy]butyric acid Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C3C2=CC=CC=C3)CC(=O)NC4=CC=CC=C4OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C3C2=CC=CC=C3)CC(=O)NC4=CC=CC=C4OCCCC(=O)O

InChI

InChI=1S/C28H25NO4/c30-27(29-25-14-7-8-15-26(25)33-17-9-16-28(31)32)19-21-18-24(20-10-3-1-4-11-20)23-13-6-2-5-12-22(21)23/h1-8,10-15,18H,9,16-17,19H2,(H,29,30)(H,31,32)