3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]phenyl]-2-phenylmethoxy-propanoic acid

Systemtic Name: 3-[4-[3-(2-chloranyl-5-oxidanylidene-phenothiazin-10-yl)propyl]phenyl]-2-phenylmethoxy-propanoic acid Openeye Name: 2-benzyloxy-3-[4-[3-(2-chloro-5-oxo-phenothiazin-10-yl)propyl]phenyl]propanoic acid CAS Name: 3-[4-[3-(2-chloro-5-oxo-10-phenothiazinyl)propyl]phenyl]-2-phenylmethoxypropanoic acid IUPAC Name: 3-[4-[3-(2-chloro-5-oxophenothiazin-10-yl)propyl]phenyl]-2-phenylmethoxypropanoic acid Traditional Name: 2-benzoxy-3-[4-[3-(2-chloro-5-keto-phenothiazin-10-yl)propyl]phenyl]propionic acid Formula: C31H28ClNO4S MolecularWeight: 546.07632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)CCCN3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)CCCN3C4=CC=CC=C4S(=O)C5=C3C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C31H28ClNO4S/c32-25-16-17-30-27(20-25)33(26-10-4-5-11-29(26)38(30)36)18-6-9-22-12-14-23(15-13-22)19-28(31(34)35)37-21-24-7-2-1-3-8-24/h1-5,7-8,10-17,20,28H,6,9,18-19,21H2,(H,34,35)