2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 1-phenylethanamine

Systemtic Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 1-phenylethanamine Openeye Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 1-phenylethanamine CAS Name: 2-ethoxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propanoic acid; 1-phenylethanamine IUPAC Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; 1-phenylethanamine Traditional Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propionic acid; 1-phenylethylamine Formula: C33H36N2O4S MolecularWeight: 556.71494

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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(C1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S.C8H11N/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;1-7(9)8-5-3-2-4-6-8/h3-14,22H,2,15-17H2,1H3,(H,27,28);2-7H,9H2,1H3