(phenylmethyl) 4-(2-bromoethyloxy)-3-carbamimidoyl-benzoate

Systemtic Name: (phenylmethyl) 4-(2-bromoethyloxy)-3-carbamimidoyl-benzoate Openeye Name: benzyl 4-(2-bromoethoxy)-3-carbamimidoyl-benzoate CAS Name: 4-(2-bromoethoxy)-3-carbamimidoylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-bromoethoxy)-3-carbamimidoylbenzoate Traditional Name: 3-amidino-4-(2-bromoethoxy)benzoic acid benzyl ester Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O3/c18-8-9-22-15-7-6-13(10-14(15)16(19)20)17(21)23-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H3,19,20)