tert-butyl (2S)-2-[(2-chlorophenyl)methyl]-2-methyl-4-phenyl-but-3-ynoate

Systemtic Name: tert-butyl (2S)-2-[(2-chlorophenyl)methyl]-2-methyl-4-phenyl-but-3-ynoate Openeye Name: tert-butyl (2S)-2-[(2-chlorophenyl)methyl]-2-methyl-4-phenyl-but-3-ynoate CAS Name: (2S)-2-[(2-chlorophenyl)methyl]-2-methyl-4-phenyl-3-butynoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-chlorophenyl)methyl]-2-methyl-4-phenylbut-3-ynoate Traditional Name: (2S)-2-(2-chlorobenzyl)-2-methyl-4-phenyl-but-3-ynoic acid tert-butyl ester Formula: C22H23ClO2 MolecularWeight: 354.86982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(CC1=CC=CC=C1Cl)C#CC2=CC=CC=C2

Isomeric SMILES

C[C@](CC1=CC=CC=C1Cl)(C#CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H23ClO2/c1-21(2,3)25-20(24)22(4,15-14-17-10-6-5-7-11-17)16-18-12-8-9-13-19(18)23/h5-13H,16H2,1-4H3/t22-/m1/s1