(E,2S,3R)-3-[(2-bromophenyl)methyl-pent-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol

Systemtic Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-pent-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol Openeye Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-pent-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol CAS Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-pent-2-ynylamino]-1,5-diphenyl-4-penten-2-ol IUPAC Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-pent-2-ynylamino]-1,5-diphenylpent-4-en-2-ol Traditional Name: (E,2S,3R)-3-[(2-bromobenzyl)-pent-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol Formula: C29H30BrNO MolecularWeight: 488.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCN(CC1=CC=CC=C1Br)C(C=CC2=CC=CC=C2)C(CC3=CC=CC=C3)O

Isomeric SMILES

CCC#CCN(CC1=CC=CC=C1Br)[C@H](/C=C/C2=CC=CC=C2)[C@H](CC3=CC=CC=C3)O

InChI

InChI=1S/C29H30BrNO/c1-2-3-12-21-31(23-26-17-10-11-18-27(26)30)28(20-19-24-13-6-4-7-14-24)29(32)22-25-15-8-5-9-16-25/h4-11,13-20,28-29,32H,2,21-23H2,1H3/b20-19+/t28-,29+/m1/s1