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

Systemtic Name: 2-[3-bromanyl-5-(5-carbamimidoyl-2H-indol-2-yl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-bromo-5-(5-carbamimidoyl-2H-indol-2-yl)-4-hydroxy-phenyl]acetic acid CAS Name: 2-[3-bromo-5-(5-carbamimidoyl-2H-indol-2-yl)-4-hydroxyphenyl]acetic acid IUPAC Name: 2-[3-bromo-5-(5-carbamimidoyl-2H-indol-2-yl)-4-hydroxyphenyl]acetic acid Traditional Name: 2-[3-(5-amidino-2H-indol-2-yl)-5-bromo-4-hydroxy-phenyl]acetic acid Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(C=C2C=C1C(=N)N)C3=CC(=CC(=C3O)Br)CC(=O)O

Isomeric SMILES

C1=CC2=NC(C=C2C=C1C(=N)N)C3=CC(=CC(=C3O)Br)CC(=O)O

InChI

InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,14,24H,5H2,(H3,19,20)(H,22,23)