methyl 2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]-3-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl 2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]-3-[(phenylmethyl)amino]propanoate Openeye Name: methyl 3-(benzylamino)-2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]propanoate CAS Name: 2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]-3-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-(benzylamino)-2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]propanoate Traditional Name: 3-(benzylamino)-2,2-dimethyl-3-[2-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=CC=C1C#CC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC=CC=C1C#CC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H27NO2/c1-27(2,26(29)30-3)25(28-20-22-14-8-5-9-15-22)24-17-11-10-16-23(24)19-18-21-12-6-4-7-13-21/h4-17,25,28H,20H2,1-3H3