methyl 4-[5-(4-cyanophenyl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[5-(4-cyanophenyl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[5-(4-cyanophenyl)-2-hydroxy-phenyl]cyclohexanecarboxylate CAS Name: 4-[5-(4-cyanophenyl)-2-hydroxyphenyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[5-(4-cyanophenyl)-2-hydroxyphenyl]cyclohexane-1-carboxylate Traditional Name: 4-[5-(4-cyanophenyl)-2-hydroxy-phenyl]cyclohexanecarboxylic acid methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H21NO3/c1-25-21(24)17-8-6-16(7-9-17)19-12-18(10-11-20(19)23)15-4-2-14(13-22)3-5-15/h2-5,10-12,16-17,23H,6-9H2,1H3