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

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[4-benzyloxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[4-benzoxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]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)OCC3=CC=CC=C3)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=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)27-18-26(12-10-24(27)11-13-29(32)33)35-19-23-8-6-5-7-9-23/h5-10,12,15-18,20,28H,11,13-14,19H2,1-4H3,(H,31,34)(H,32,33)