7-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-benzofuran-2-carboxylic acid Openeye Name: 7-[(3-methyl-1-phenyl-butyl)carbamoyl]benzofuran-2-carboxylic acid CAS Name: 7-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-2-benzofurancarboxylic acid IUPAC Name: 7-[(3-methyl-1-phenylbutyl)carbamoyl]-1-benzofuran-2-carboxylic acid Traditional Name: 7-[(3-methyl-1-phenyl-butyl)carbamoyl]coumarilic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-13(2)11-17(14-7-4-3-5-8-14)22-20(23)16-10-6-9-15-12-18(21(24)25)26-19(15)16/h3-10,12-13,17H,11H2,1-2H3,(H,22,23)(H,24,25)