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

Systemtic Name: methyl 4-[5-(4-cyanophenyl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylate; N-methylmethanamide Openeye Name: methyl 4-[5-(4-cyanophenyl)-2-hydroxy-phenyl]cyclohexanecarboxylate; N-methylformamide CAS Name: 4-[5-(4-cyanophenyl)-2-hydroxyphenyl]-1-cyclohexanecarboxylic acid methyl ester; N-methylformamide IUPAC Name: methyl 4-[5-(4-cyanophenyl)-2-hydroxyphenyl]cyclohexane-1-carboxylate; N-methylformamide Traditional Name: 4-[5-(4-cyanophenyl)-2-hydroxy-phenyl]cyclohexanecarboxylic acid methyl ester; N-methylformamide Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3.C2H5NO/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;1-3-2-4/h2-5,10-12,16-17,23H,6-9H2,1H3;2H,1H3,(H,3,4)