5-[2-(4-bromophenyl)ethylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-(4-bromophenyl)ethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(4-bromophenyl)ethylamino]-5-oxo-pentanoic acid CAS Name: 5-[2-(4-bromophenyl)ethylamino]-5-oxopentanoic acid IUPAC Name: 5-[2-(4-bromophenyl)ethylamino]-5-oxopentanoic acid Traditional Name: 5-[2-(4-bromophenyl)ethylamino]-5-keto-valeric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCCC(=O)O)Br

InChI

InChI=1S/C13H16BrNO3/c14-11-6-4-10(5-7-11)8-9-15-12(16)2-1-3-13(17)18/h4-7H,1-3,8-9H2,(H,15,16)(H,17,18)