2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]ethanoic acid

Systemtic Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]ethanoic acid Openeye Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]acetic acid CAS Name: 2-[[(4-methoxyphenoxy)-oxomethyl]-[[4-[2-(10-phenothiazinyl)ethoxy]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[(4-methoxyphenoxy)carbonyl-[[4-(2-phenothiazin-10-ylethoxy)phenyl]methyl]amino]acetic acid Traditional Name: 2-[(4-methoxyphenoxy)carbonyl-[4-(2-phenothiazin-10-ylethoxy)benzyl]amino]acetic acid Formula: C31H28N2O6S MolecularWeight: 556.62882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4SC5=CC=CC=C53)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4SC5=CC=CC=C53)CC(=O)O

InChI

InChI=1S/C31H28N2O6S/c1-37-23-14-16-25(17-15-23)39-31(36)32(21-30(34)35)20-22-10-12-24(13-11-22)38-19-18-33-26-6-2-4-8-28(26)40-29-9-5-3-7-27(29)33/h2-17H,18-21H2,1H3,(H,34,35)