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

Systemtic Name: 2-[3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetic acid CAS Name: 2-[3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxyphenyl]acetic acid IUPAC Name: 2-[3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxyphenyl]acetic acid Traditional Name: 2-[3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetic acid Formula: C24H20BrN3O3 MolecularWeight: 478.3379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)C(=N)N)C4=CC(=CC(=C4O)Br)CC(=O)O

InChI

InChI=1S/C24H20BrN3O3/c25-19-10-14(11-21(29)30)9-18(23(19)31)22-17(8-13-4-2-1-3-5-13)16-12-15(24(26)27)6-7-20(16)28-22/h1-7,9-10,12,28,31H,8,11H2,(H3,26,27)(H,29,30)