1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethynyl]cyclohexan-1-amine

Systemtic Name: 1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethynyl]cyclohexan-1-amine Openeye Name: 1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]ethynyl]cyclohexanamine CAS Name: 1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-4-isoxazolyl]ethynyl]-1-cyclohexanamine IUPAC Name: 1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethynyl]cyclohexan-1-amine Traditional Name: [1-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]ethynyl]cyclohexyl]amine Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3(CCCCC3)N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3(CCCCC3)N

InChI

InChI=1S/C21H26N2O4/c1-14-16(8-11-21(22)9-6-5-7-10-21)19(23-27-14)15-12-17(24-2)20(26-4)18(13-15)25-3/h12-13H,5-7,9-10,22H2,1-4H3