6-[1-(4-bromophenyl)ethylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[1-(4-bromophenyl)ethylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(4-bromophenyl)ethylamino]-6-oxo-hexanoic acid CAS Name: 6-[1-(4-bromophenyl)ethylamino]-6-oxohexanoic acid IUPAC Name: 6-[1-(4-bromophenyl)ethylamino]-6-oxohexanoic acid Traditional Name: 6-[1-(4-bromophenyl)ethylamino]-6-keto-hexanoic acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CCCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C14H18BrNO3/c1-10(11-6-8-12(15)9-7-11)16-13(17)4-2-3-5-14(18)19/h6-10H,2-5H2,1H3,(H,16,17)(H,18,19)