[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H20O4/c1-3-14(2)15-8-10-16(11-9-15)18(22)13-24-21(23)20-12-17-6-4-5-7-19(17)25-20/h4-12,14H,3,13H2,1-2H3/t14-/m0/s1