2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 2-methylpropan-2-amine

Systemtic Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 2-methylpropan-2-amine Openeye Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 2-methylpropan-2-amine CAS Name: 2-ethoxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propanoic acid; 2-methyl-2-propanamine IUPAC Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 2-methylpropan-2-amine Traditional Name: tert-butylamine; 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propionic acid Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S.C4H11N/c1-2-29-22(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-23(20)31-24-10-6-4-8-21(24)26;1-4(2,3)5/h3-14,22H,2,15-17H2,1H3,(H,27,28);5H2,1-3H3