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

Systemtic Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; phenylmethanamine Openeye Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; phenylmethanamine CAS Name: 2-ethoxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propanoic acid; phenylmethanamine IUPAC Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; phenylmethanamine Traditional Name: benzylamine; 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propionic acid Formula: C32H34N2O4S MolecularWeight: 542.68836

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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.C1=CC=C(C=C1)CN

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S.C7H9N/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;8-6-7-4-2-1-3-5-7/h3-14,22H,2,15-17H2,1H3,(H,27,28);1-5H,6,8H2