[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]ethyl] ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)C

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=C(C2=CC=CC=C2O1)C

InChI

InChI=1S/C19H25NO4/c1-4-5-6-9-13(2)20-17(21)12-23-19(22)18-14(3)15-10-7-8-11-16(15)24-18/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,20,21)/t13-/m0/s1