2-ethoxy-2-methyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid

Systemtic Name: 2-ethoxy-2-methyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid Openeye Name: 2-ethoxy-2-methyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid CAS Name: 2-ethoxy-2-methyl-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-2-methyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid Traditional Name: 2-ethoxy-2-methyl-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propionic acid Formula: C26H27NO4S MolecularWeight: 449.56188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(C)(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C26H27NO4S/c1-3-31-26(2,25(28)29)18-19-12-14-20(15-13-19)30-17-16-27-21-8-4-6-10-23(21)32-24-11-7-5-9-22(24)27/h4-15H,3,16-18H2,1-2H3,(H,28,29)