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

Systemtic Name: 4-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethynyl]aniline Openeye Name: 4-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]ethynyl]aniline CAS Name: 4-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-4-isoxazolyl]ethynyl]aniline IUPAC Name: 4-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]ethynyl]aniline Traditional Name: [4-[2-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]ethynyl]phenyl]amine Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=CC=C(C=C3)N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC(=C(C(=C2)OC)OC)OC)C#CC3=CC=C(C=C3)N

InChI

InChI=1S/C21H20N2O4/c1-13-17(10-7-14-5-8-16(22)9-6-14)20(23-27-13)15-11-18(24-2)21(26-4)19(12-15)25-3/h5-6,8-9,11-12H,22H2,1-4H3