2-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl-(phenylmethyl)amino]butanoic acid Openeye Name: 2-[benzyl-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl]amino]butanoic acid CAS Name: 2-[[3-[3-(10-phenothiazinyl)propoxy]phenyl]methyl-(phenylmethyl)amino]butanoic acid IUPAC Name: 2-[benzyl-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl]amino]butanoic acid Traditional Name: 2-[benzyl-[3-(3-phenothiazin-10-ylpropoxy)benzyl]amino]butyric acid Formula: C33H34N2O3S MolecularWeight: 538.69966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC(=CC=C2)OCCCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCC(C(=O)O)N(CC1=CC=CC=C1)CC2=CC(=CC=C2)OCCCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C33H34N2O3S/c1-2-28(33(36)37)34(23-25-12-4-3-5-13-25)24-26-14-10-15-27(22-26)38-21-11-20-35-29-16-6-8-18-31(29)39-32-19-9-7-17-30(32)35/h3-10,12-19,22,28H,2,11,20-21,23-24H2,1H3,(H,36,37)