methyl 1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-indole-2-carboxylate

Systemtic Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-indole-2-carboxylate Openeye Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-indole-2-carboxylate CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-carbamimidoylphenyl)methyl]-5-fluoroindole-2-carboxylate Traditional Name: 1-(3-amidinobenzyl)-5-fluoro-indole-2-carboxylic acid methyl ester Formula: C18H16FN3O2 MolecularWeight: 325.336943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CC3=CC=CC(=C3)C(=N)N)C=CC(=C2)F

Isomeric SMILES

COC(=O)C1=CC2=C(N1CC3=CC=CC(=C3)C(=N)N)C=CC(=C2)F

InChI

InChI=1S/C18H16FN3O2/c1-24-18(23)16-9-13-8-14(19)5-6-15(13)22(16)10-11-3-2-4-12(7-11)17(20)21/h2-9H,10H2,1H3,(H3,20,21)