methyl 3-methyl-5-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]oxymethyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]oxymethyl]furan-2-carboxylate Openeye Name: methyl 3-methyl-5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]oxymethyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]oxymethyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[(2S)-3-methyl-2-(m-toluoylamino)butanoyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=C(O2)C(=O)OC)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=C(O2)C(=O)OC)C

InChI

InChI=1S/C21H25NO6/c1-12(2)17(22-19(23)15-8-6-7-13(3)9-15)20(24)27-11-16-10-14(4)18(28-16)21(25)26-5/h6-10,12,17H,11H2,1-5H3,(H,22,23)/t17-/m0/s1