3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-fluorophenyl)amino]phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-fluorophenyl)amino]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(3-fluoroanilino)phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-(3-fluoroanilino)phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(3-fluoroanilino)phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(3-fluoroanilino)phenyl]propionic acid Formula: C29H33FN2O3 MolecularWeight: 476.582323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)NC3=CC(=CC=C3)F)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)NC3=CC(=CC=C3)F)CCC(=O)O)C

InChI

InChI=1S/C29H33FN2O3/c1-18(2)12-27(22-14-19(3)13-20(4)15-22)32-29(35)26-17-25(10-8-21(26)9-11-28(33)34)31-24-7-5-6-23(30)16-24/h5-8,10,13-18,27,31H,9,11-12H2,1-4H3,(H,32,35)(H,33,34)