(1S,2S)-1,2-bis(6-chloranyl-2-fluoranyl-3-methoxy-phenyl)ethane-1,2-diamine

Systemtic Name: (1S,2S)-1,2-bis(6-chloranyl-2-fluoranyl-3-methoxy-phenyl)ethane-1,2-diamine Openeye Name: (1S,2S)-1,2-bis(6-chloro-2-fluoro-3-methoxy-phenyl)ethane-1,2-diamine CAS Name: (1S,2S)-1,2-bis(6-chloro-2-fluoro-3-methoxyphenyl)ethane-1,2-diamine IUPAC Name: (1S,2S)-1,2-bis(6-chloro-2-fluoro-3-methoxyphenyl)ethane-1,2-diamine Traditional Name: [(1S,2S)-2-amino-1,2-bis(6-chloro-2-fluoro-3-methoxy-phenyl)ethyl]amine Formula: C16H16Cl2F2N2O2 MolecularWeight: 377.213246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)Cl)C(C(C2=C(C=CC(=C2F)OC)Cl)N)N)F

Isomeric SMILES

COC1=C(C(=C(C=C1)Cl)[C@@H]([C@H](C2=C(C=CC(=C2F)OC)Cl)N)N)F

InChI

InChI=1S/C16H16Cl2F2N2O2/c1-23-9-5-3-7(17)11(13(9)19)15(21)16(22)12-8(18)4-6-10(24-2)14(12)20/h3-6,15-16H,21-22H2,1-2H3/t15-,16-/m0/s1