methyl 2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-methyl-3-(4-thiophen-3-ylphenyl)propanoate

Systemtic Name: methyl 2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-methyl-3-(4-thiophen-3-ylphenyl)propanoate Openeye Name: methyl 2-[(3,5-dimethylbenzoyl)-methyl-amino]-2-methyl-3-[4-(3-thienyl)phenyl]propanoate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-2-methyl-3-[4-(3-thiophenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethylbenzoyl)-methylamino]-2-methyl-3-(4-thiophen-3-ylphenyl)propanoate Traditional Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-2-methyl-3-[4-(3-thienyl)phenyl]propionic acid methyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(C)(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(C)(CC2=CC=C(C=C2)C3=CSC=C3)C(=O)OC)C

InChI

InChI=1S/C25H27NO3S/c1-17-12-18(2)14-22(13-17)23(27)26(4)25(3,24(28)29-5)15-19-6-8-20(9-7-19)21-10-11-30-16-21/h6-14,16H,15H2,1-5H3