2-[(4-bromophenyl)-butyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromophenyl)-butyl-amino]ethanoic acid Openeye Name: 2-(4-bromo-N-butyl-anilino)acetic acid CAS Name: 2-(4-bromo-N-butylanilino)acetic acid IUPAC Name: 2-(4-bromo-N-butylanilino)acetic acid Traditional Name: 2-(4-bromo-N-butyl-anilino)acetic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCN(CC(=O)O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H16BrNO2/c1-2-3-8-14(9-12(15)16)11-6-4-10(13)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,15,16)