(2S)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanenitrile

Systemtic Name: (2S)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanenitrile Openeye Name: (2S)-2-(5-bromo-2-hydroxy-phenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetonitrile CAS Name: (2S)-2-(5-bromo-2-hydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetonitrile IUPAC Name: (2S)-2-(5-bromo-2-hydroxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetonitrile Traditional Name: (2S)-2-(5-bromo-2-hydroxy-phenyl)-2-(homoveratrylamino)acetonitrile Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(C#N)C2=C(C=CC(=C2)Br)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN[C@H](C#N)C2=C(C=CC(=C2)Br)O)OC

InChI

InChI=1S/C18H19BrN2O3/c1-23-17-6-3-12(9-18(17)24-2)7-8-21-15(11-20)14-10-13(19)4-5-16(14)22/h3-6,9-10,15,21-22H,7-8H2,1-2H3/t15-/m1/s1