7-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-1-benzofuran-2-carboxylic acid Openeye Name: 7-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]benzofuran-2-carboxylic acid CAS Name: 7-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-2-benzofurancarboxylic acid IUPAC Name: 7-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-1-benzofuran-2-carboxylic acid Traditional Name: 7-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]coumarilic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CC=CC3=C2OC(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CC=CC3=C2OC(=C3)C(=O)O)C

InChI

InChI=1S/C23H25NO4/c1-13(2)8-19(17-10-14(3)9-15(4)11-17)24-22(25)18-7-5-6-16-12-20(23(26)27)28-21(16)18/h5-7,9-13,19H,8H2,1-4H3,(H,24,25)(H,26,27)