2,6-bis(azanyl)hexanoic acid; 2-(3-chloranyl-4-phenylmethoxy-phenyl)ethanoic acid

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-(3-chloranyl-4-phenylmethoxy-phenyl)ethanoic acid Openeye Name: 2-(4-benzyloxy-3-chloro-phenyl)acetic acid; 2,6-diaminohexanoic acid CAS Name: 2-(3-chloro-4-phenylmethoxyphenyl)acetic acid; 2,6-diaminohexanoic acid IUPAC Name: 2-(3-chloro-4-phenylmethoxyphenyl)acetic acid; 2,6-diaminohexanoic acid Traditional Name: 2-(4-benzoxy-3-chloro-phenyl)acetic acid; 2,6-diaminohexanoic acid Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C15H13ClO3.C6H14N2O2/c16-13-8-12(9-15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11;7-4-2-1-3-5(8)6(9)10/h1-8H,9-10H2,(H,17,18);5H,1-4,7-8H2,(H,9,10)