methyl 2-[[(2,4-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate

Systemtic Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-isopentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(2,4-dimethylanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2,4-dimethylphenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(2,4-dimethylphenyl)carbamoyl-isoamyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N(CCC(C)C)CC2=NC(=CO2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N(CCC(C)C)CC2=NC(=CO2)C(=O)OC)C

InChI

InChI=1S/C20H27N3O4/c1-13(2)8-9-23(11-18-21-17(12-27-18)19(24)26-5)20(25)22-16-7-6-14(3)10-15(16)4/h6-7,10,12-13H,8-9,11H2,1-5H3,(H,22,25)