2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid Openeye Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]phenyl]-5-methoxyterephthalic acid IUPAC Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methoxyterephthalic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]phenyl]-5-methoxy-terephthalic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)C2=CC=CC=C2CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)C2=CC=CC=C2CN3C=CC4=C3C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C25H21N3O5/c1-33-22-12-19(24(29)30)18(11-20(22)25(31)32)17-5-3-2-4-16(17)13-28-9-8-14-10-15(23(26)27)6-7-21(14)28/h2-12H,13H2,1H3,(H3,26,27)(H,29,30)(H,31,32)