3-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-methoxy-phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-methoxy-phenyl]propanoic acid Openeye Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-methoxy-phenyl]propanoic acid CAS Name: 3-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-methoxyphenyl]propanoic acid IUPAC Name: 3-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-methoxyphenyl]propanoic acid Traditional Name: 3-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-methoxy-phenyl]propionic acid Formula: C26H24BrN3O3 MolecularWeight: 506.39106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)CCC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC4=CC=CC=C4)CCC(=O)O)Br

InChI

InChI=1S/C26H24BrN3O3/c1-33-25-20(12-16(13-21(25)27)7-10-23(31)32)24-19(11-15-5-3-2-4-6-15)18-14-17(26(28)29)8-9-22(18)30-24/h2-6,8-9,12-14,30H,7,10-11H2,1H3,(H3,28,29)(H,31,32)