2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]ethanoic acid Openeye Name: 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonyl-amino]acetic acid CAS Name: 2-[[4-[2-(9-carbazolyl)ethoxy]phenyl]methyl-[(4-methoxyphenoxy)-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(2-carbazol-9-ylethoxy)phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid Traditional Name: 2-[[4-(2-carbazol-9-ylethoxy)benzyl]-(4-methoxyphenoxy)carbonyl-amino]acetic acid Formula: C31H28N2O6 MolecularWeight: 524.56382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4C5=CC=CC=C53)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N(CC2=CC=C(C=C2)OCCN3C4=CC=CC=C4C5=CC=CC=C53)CC(=O)O

InChI

InChI=1S/C31H28N2O6/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)38-19-18-33-28-8-4-2-6-26(28)27-7-3-5-9-29(27)33/h2-17H,18-21H2,1H3,(H,34,35)