2-chloranyl-6-[(phenylmethyl)amino]hexanoic acid

Systemtic Name: 2-chloranyl-6-[(phenylmethyl)amino]hexanoic acid Openeye Name: 6-(benzylamino)-2-chloro-hexanoic acid CAS Name: 2-chloro-6-[(phenylmethyl)amino]hexanoic acid IUPAC Name: 6-(benzylamino)-2-chlorohexanoic acid Traditional Name: 6-(benzylamino)-2-chloro-hexanoic acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCC(C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCC(C(=O)O)Cl

InChI

InChI=1S/C13H18ClNO2/c14-12(13(16)17)8-4-5-9-15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,16,17)