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

Systemtic Name: 4-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-phenylmethoxy-phenyl]butanoic acid Openeye Name: 4-[4-benzyloxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]butanoic acid CAS Name: 4-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-phenylmethoxyphenyl]butanoic acid IUPAC Name: 4-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-phenylmethoxyphenyl]butanoic acid Traditional Name: 4-[4-benzoxy-2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]phenyl]butyric acid Formula: C31H37NO4 MolecularWeight: 487.62978

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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)CCCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)OCC3=CC=CC=C3)CCCC(=O)O)C

InChI

InChI=1S/C31H37NO4/c1-21(2)15-29(26-17-22(3)16-23(4)18-26)32-31(35)28-19-27(36-20-24-9-6-5-7-10-24)14-13-25(28)11-8-12-30(33)34/h5-7,9-10,13-14,16-19,21,29H,8,11-12,15,20H2,1-4H3,(H,32,35)(H,33,34)