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

Systemtic Name: 3-bromanyl-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-oxidanyl-benzoic acid Openeye Name: 3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxy-benzoic acid CAS Name: 3-bromo-5-[5-carbamimidoyl-3-(phenylmethyl)-1H-indol-2-yl]-4-hydroxybenzoic acid IUPAC Name: 3-(3-benzyl-5-carbamimidoyl-1H-indol-2-yl)-5-bromo-4-hydroxybenzoic acid Traditional Name: 3-(5-amidino-3-benzyl-1H-indol-2-yl)-5-bromo-4-hydroxy-benzoic acid Formula: C23H18BrN3O3 MolecularWeight: 464.31132

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3O3/c24-18-11-14(23(29)30)10-17(21(18)28)20-16(8-12-4-2-1-3-5-12)15-9-13(22(25)26)6-7-19(15)27-20/h1-7,9-11,27-28H,8H2,(H3,25,26)(H,29,30)