1-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-indole-2-carboxylic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-hydroxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-5-hydroxyindole-2-carboxylic acid Traditional Name: 1-(3-amidinobenzyl)-5-hydroxy-indole-2-carboxylic acid Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C=C2C(=O)O)C(=N)N

InChI

InChI=1S/C17H15N3O3/c18-16(19)11-3-1-2-10(6-11)9-20-14-5-4-13(21)7-12(14)8-15(20)17(22)23/h1-8,21H,9H2,(H3,18,19)(H,22,23)