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

Systemtic Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; piperazine Openeye Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; piperazine CAS Name: 2-ethoxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]propanoic acid; piperazine IUPAC Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid; piperazine Traditional Name: 2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propionic acid; piperazine Formula: C54H60N4O8S2 MolecularWeight: 957.2062

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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.CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O.C1CNCCN1

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O.CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)O.C1CNCCN1

InChI

InChI=1S/2C25H25NO4S.C4H10N2/c2*1-2-29-22(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;1-2-6-4-3-5-1/h2*3-14,22H,2,15-17H2,1H3,(H,27,28);5-6H,1-4H2