[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C23H23NO5/c1-14(2)12-21(26)24-17-10-8-16(9-11-17)19(25)13-28-23(27)22-15(3)18-6-4-5-7-20(18)29-22/h4-11,14H,12-13H2,1-3H3,(H,24,26)