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

Systemtic Name: 2-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl-(phenylmethyl)amino]ethanoic acid Openeye Name: 2-[benzyl-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl]amino]acetic acid CAS Name: 2-[[3-[3-(10-phenothiazinyl)propoxy]phenyl]methyl-(phenylmethyl)amino]acetic acid IUPAC Name: 2-[benzyl-[[3-(3-phenothiazin-10-ylpropoxy)phenyl]methyl]amino]acetic acid Traditional Name: 2-[benzyl-[3-(3-phenothiazin-10-ylpropoxy)benzyl]amino]acetic acid Formula: C31H30N2O3S MolecularWeight: 510.6465

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCCCN3C4=CC=CC=C4SC5=CC=CC=C53)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCCCN3C4=CC=CC=C4SC5=CC=CC=C53)CC(=O)O

InChI

InChI=1S/C31H30N2O3S/c34-31(35)23-32(21-24-10-2-1-3-11-24)22-25-12-8-13-26(20-25)36-19-9-18-33-27-14-4-6-16-29(27)37-30-17-7-5-15-28(30)33/h1-8,10-17,20H,9,18-19,21-23H2,(H,34,35)