1-[(3R,4R)-3-(benzotriazol-1-yl)-3-ethoxy-4-phenyl-4-phenylazanyl-but-1-ynyl]cyclohexan-1-ol

Systemtic Name: 1-[(3R,4R)-3-(benzotriazol-1-yl)-3-ethoxy-4-phenyl-4-phenylazanyl-but-1-ynyl]cyclohexan-1-ol Openeye Name: 1-[(3R,4R)-4-anilino-3-(benzotriazol-1-yl)-3-ethoxy-4-phenyl-but-1-ynyl]cyclohexanol CAS Name: 1-[(3R,4R)-4-anilino-3-(1-benzotriazolyl)-3-ethoxy-4-phenylbut-1-ynyl]-1-cyclohexanol IUPAC Name: 1-[(3R,4R)-4-anilino-3-(benzotriazol-1-yl)-3-ethoxy-4-phenylbut-1-ynyl]cyclohexan-1-ol Traditional Name: 1-[(3R,4R)-4-anilino-3-(benzotriazol-1-yl)-3-ethoxy-4-phenyl-but-1-ynyl]cyclohexanol Formula: C30H32N4O2 MolecularWeight: 480.60068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C#CC1(CCCCC1)O)(C(C2=CC=CC=C2)NC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CCO[C@](C#CC1(CCCCC1)O)([C@@H](C2=CC=CC=C2)NC3=CC=CC=C3)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C30H32N4O2/c1-2-36-30(23-22-29(35)20-12-5-13-21-29,34-27-19-11-10-18-26(27)32-33-34)28(24-14-6-3-7-15-24)31-25-16-8-4-9-17-25/h3-4,6-11,14-19,28,31,35H,2,5,12-13,20-21H2,1H3/t28-,30-/m1/s1