3-carbamimidoyl-5-fluoranyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-carbamimidoyl-5-fluoranyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-carbamimidoyl-5-fluoro-indole-2-carboxylic acid CAS Name: 3-carbamimidoyl-5-fluoro-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-carbamimidoyl-5-fluoroindole-2-carboxylic acid Traditional Name: 3-amidino-1-benzyl-5-fluoro-indole-2-carboxylic acid Formula: C17H14FN3O2 MolecularWeight: 311.310363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14FN3O2/c18-11-6-7-13-12(8-11)14(16(19)20)15(17(22)23)21(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,19,20)(H,22,23)