azanyl 3-[4-bromanyl-2-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]propanoate

Systemtic Name: azanyl 3-[4-bromanyl-2-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]propanoate Openeye Name: amino 3-[4-bromo-2-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]propanoate CAS Name: 3-[4-bromo-2-[5-(4-carbamimidoylphenyl)-1-oxopentyl]phenyl]propanoic acid amino ester IUPAC Name: amino 3-[4-bromo-2-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]propanoate Traditional Name: 3-[2-[5-(4-amidinophenyl)pentanoyl]-4-bromo-phenyl]propionic acid amino ester Formula: C21H24BrN3O3 MolecularWeight: 446.33756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)C2=C(C=CC(=C2)Br)CCC(=O)ON)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)C2=C(C=CC(=C2)Br)CCC(=O)ON)C(=N)N

InChI

InChI=1S/C21H24BrN3O3/c22-17-11-9-15(10-12-20(27)28-25)18(13-17)19(26)4-2-1-3-14-5-7-16(8-6-14)21(23)24/h5-9,11,13H,1-4,10,12,25H2,(H3,23,24)