(4S,6R)-4-(benzotriazol-1-yl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxy-hexan-3-one

Systemtic Name: (4S,6R)-4-(benzotriazol-1-yl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxy-hexan-3-one Openeye Name: (4S,6R)-4-(benzotriazol-1-yl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxy-hexan-3-one CAS Name: (4S,6R)-4-(1-benzotriazolyl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxy-3-hexanone IUPAC Name: (4S,6R)-4-(benzotriazol-1-yl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxyhexan-3-one Traditional Name: (4S,6R)-4-(benzotriazol-1-yl)-6-(4-chlorophenyl)-6-ethoxy-2,2-dimethyl-4-phenoxy-hexan-3-one Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C(=O)C(C)(C)C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCO[C@H](C[C@](C(=O)C(C)(C)C)(N1C2=CC=CC=C2N=N1)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClN3O3/c1-5-34-25(20-15-17-21(29)18-16-20)19-28(26(33)27(2,3)4,35-22-11-7-6-8-12-22)32-24-14-10-9-13-23(24)30-31-32/h6-18,25H,5,19H2,1-4H3/t25-,28+/m1/s1