1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxylic acid

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-indole-2-carboxylic acid CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-2-indolecarboxylic acid IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-hydroxyindole-2-carboxylic acid Traditional Name: 1-(3-amidinobenzyl)-4-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=C2C(=O)O)C(=CC=C3)O)C(=N)N

Isomeric SMILES

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

InChI

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