[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N[C@H](C)CCC(C)C

InChI

InChI=1S/C19H25NO4/c1-12(2)9-10-13(3)20-17(21)11-23-19(22)18-14(4)15-7-5-6-8-16(15)24-18/h5-8,12-13H,9-11H2,1-4H3,(H,20,21)/t13-/m1/s1