(2-cyano-2-methyl-1-phenyl-propyl) 4-chloranylbenzoate

Systemtic Name: (2-cyano-2-methyl-1-phenyl-propyl) 4-chloranylbenzoate Openeye Name: (2-cyano-2-methyl-1-phenyl-propyl) 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid (2-cyano-2-methyl-1-phenylpropyl) ester IUPAC Name: (2-cyano-2-methyl-1-phenylpropyl) 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid (2-cyano-2-methyl-1-phenyl-propyl) ester Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C#N)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H16ClNO2/c1-18(2,12-20)16(13-6-4-3-5-7-13)22-17(21)14-8-10-15(19)11-9-14/h3-11,16H,1-2H3