1-(3-methoxyphenyl)-4-[[4-[oxidanyl(phenyl)methyl]phenyl]amino]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methoxyphenyl)-4-[[4-[oxidanyl(phenyl)methyl]phenyl]amino]cyclohexane-1-carbonitrile Openeye Name: 4-[4-[hydroxy(phenyl)methyl]anilino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 4-[4-[hydroxy(phenyl)methyl]anilino]-1-(3-methoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[hydroxy(phenyl)methyl]anilino]-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-[hydroxy(phenyl)methyl]anilino]-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NC3=CC=C(C=C3)C(C4=CC=CC=C4)O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NC3=CC=C(C=C3)C(C4=CC=CC=C4)O)C#N

InChI

InChI=1S/C27H28N2O2/c1-31-25-9-5-8-22(18-25)27(19-28)16-14-24(15-17-27)29-23-12-10-21(11-13-23)26(30)20-6-3-2-4-7-20/h2-13,18,24,26,29-30H,14-17H2,1H3