methyl 2-[4-bromanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-bromanyl-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: methyl 2-[4-bromo-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[4-bromo-2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-bromo-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-bromo-phenyl]benzoic acid methyl ester Formula: C22H18BrN3O3 MolecularWeight: 452.30062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C(C=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H18BrN3O3/c1-29-22(28)18-5-3-2-4-16(18)17-11-8-14(23)12-19(17)21(27)26-15-9-6-13(7-10-15)20(24)25/h2-12H,1H3,(H3,24,25)(H,26,27)