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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propionic acid Formula: C30H35NO4 MolecularWeight: 473.6032

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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)COC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)COC3=CC=CC=C3)CCC(=O)O)C

InChI

InChI=1S/C30H35NO4/c1-20(2)14-28(25-16-21(3)15-22(4)17-25)31-30(34)27-18-23(10-11-24(27)12-13-29(32)33)19-35-26-8-6-5-7-9-26/h5-11,15-18,20,28H,12-14,19H2,1-4H3,(H,31,34)(H,32,33)