(4-cyanophenyl) 4-[4-[(2S,4S)-4-chloranylpentan-2-yl]oxyphenyl]benzoate

Systemtic Name: (4-cyanophenyl) 4-[4-[(2S,4S)-4-chloranylpentan-2-yl]oxyphenyl]benzoate Openeye Name: (4-cyanophenyl) 4-[4-[(1S,3S)-3-chloro-1-methyl-butoxy]phenyl]benzoate CAS Name: 4-[4-[(2S,4S)-4-chloropentan-2-yl]oxyphenyl]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[4-[(2S,4S)-4-chloropentan-2-yl]oxyphenyl]benzoate Traditional Name: 4-[4-[(1S,3S)-3-chloro-1-methyl-butoxy]phenyl]benzoic acid (4-cyanophenyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@@H](C[C@H](C)Cl)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H22ClNO3/c1-17(26)15-18(2)29-23-13-9-21(10-14-23)20-5-7-22(8-6-20)25(28)30-24-11-3-19(16-27)4-12-24/h3-14,17-18H,15H2,1-2H3/t17-,18-/m0/s1