methyl 4-bromanyl-2-(3-carbamimidoylindol-1-yl)benzoate

Systemtic Name: methyl 4-bromanyl-2-(3-carbamimidoylindol-1-yl)benzoate Openeye Name: methyl 4-bromo-2-(3-carbamimidoylindol-1-yl)benzoate CAS Name: 4-bromo-2-(3-carbamimidoyl-1-indolyl)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-(3-carbamimidoylindol-1-yl)benzoate Traditional Name: 2-(3-amidinoindol-1-yl)-4-bromo-benzoic acid methyl ester Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Br)N2C=C(C3=CC=CC=C32)C(=N)N

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Br)N2C=C(C3=CC=CC=C32)C(=N)N

InChI

InChI=1S/C17H14BrN3O2/c1-23-17(22)12-7-6-10(18)8-15(12)21-9-13(16(19)20)11-4-2-3-5-14(11)21/h2-9H,1H3,(H3,19,20)