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

Systemtic Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-prop-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol Openeye Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-prop-2-ynyl-amino]-1,5-diphenyl-pent-4-en-2-ol CAS Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-prop-2-ynylamino]-1,5-diphenyl-4-penten-2-ol IUPAC Name: (E,2S,3R)-3-[(2-bromophenyl)methyl-prop-2-ynylamino]-1,5-diphenylpent-4-en-2-ol Traditional Name: (E,2S,3R)-3-[(2-bromobenzyl)-propargyl-amino]-1,5-diphenyl-pent-4-en-2-ol Formula: C27H26BrNO MolecularWeight: 460.40544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26BrNO/c1-2-19-29(21-24-15-9-10-16-25(24)28)26(18-17-22-11-5-3-6-12-22)27(30)20-23-13-7-4-8-14-23/h1,3-18,26-27,30H,19-21H2/b18-17+/t26-,27+/m1/s1