(phenylmethyl) 4-(4-bromanylbutoxy)-3-carbamimidoyl-benzoate

Systemtic Name: (phenylmethyl) 4-(4-bromanylbutoxy)-3-carbamimidoyl-benzoate Openeye Name: benzyl 4-(4-bromobutoxy)-3-carbamimidoyl-benzoate CAS Name: 4-(4-bromobutoxy)-3-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-bromobutoxy)-3-carbamimidoylbenzoate Traditional Name: 3-amidino-4-(4-bromobutoxy)benzoic acid benzyl ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)OCCCCBr)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)OCCCCBr)C(=N)N

InChI

InChI=1S/C19H21BrN2O3/c20-10-4-5-11-24-17-9-8-15(12-16(17)18(21)22)19(23)25-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H3,21,22)