methyl 2-[4-azanyl-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-[4-azanyl-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methyl-propanoate Openeye Name: methyl 2-[4-amino-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methyl-propanoate CAS Name: 2-[4-amino-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-amino-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methylpropanoate Traditional Name: 2-[4-amino-3-[2-(3,5-dimethylphenyl)ethynyl]phenyl]-2-methyl-propionic acid methyl ester Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C#CC2=C(C=CC(=C2)C(C)(C)C(=O)OC)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C#CC2=C(C=CC(=C2)C(C)(C)C(=O)OC)N)C

InChI

InChI=1S/C21H23NO2/c1-14-10-15(2)12-16(11-14)6-7-17-13-18(8-9-19(17)22)21(3,4)20(23)24-5/h8-13H,22H2,1-5H3