(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-cyanobenzoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-cyanobenzoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C18H16ClNO2 MolecularWeight: 313.77814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2/c1-11(2)15-9-16(19)12(3)8-17(15)22-18(21)14-6-4-13(10-20)5-7-14/h4-9,11H,1-3H3