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

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-2-methyl-3-(4-thiophen-3-ylphenyl)propanoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-2-methyl-3-[4-(3-thienyl)phenyl]propanoic acid CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-2-methyl-3-[4-(3-thiophenyl)phenyl]propanoic acid IUPAC Name: 2-[(3,5-dimethylbenzoyl)-methylamino]-2-methyl-3-(4-thiophen-3-ylphenyl)propanoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-2-methyl-3-[4-(3-thienyl)phenyl]propionic acid Formula: C24H25NO3S MolecularWeight: 407.5252

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO3S/c1-16-11-17(2)13-21(12-16)22(26)25(4)24(3,23(27)28)14-18-5-7-19(8-6-18)20-9-10-29-15-20/h5-13,15H,14H2,1-4H3,(H,27,28)