[(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] 4-chloranylbenzoate

Systemtic Name: [(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] 4-chloranylbenzoate Openeye Name: [(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] ester IUPAC Name: [(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S)-2-cyano-1-(2-methoxyphenyl)ethyl] ester Formula: C17H14ClNO3 MolecularWeight: 315.75096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CC#N)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=CC=CC=C1[C@H](CC#N)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClNO3/c1-21-15-5-3-2-4-14(15)16(10-11-19)22-17(20)12-6-8-13(18)9-7-12/h2-9,16H,10H2,1H3/t16-/m0/s1