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

Systemtic Name: methyl 2-[[(3-bromophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Openeye Name: methyl 2-[[(3-bromophenyl)carbamoyl-isopentyl-amino]methyl]oxazole-4-carboxylate CAS Name: 2-[[[(3-bromoanilino)-oxomethyl]-(3-methylbutyl)amino]methyl]-4-oxazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-bromophenyl)carbamoyl-(3-methylbutyl)amino]methyl]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[(3-bromophenyl)carbamoyl-isoamyl-amino]methyl]oxazole-4-carboxylic acid methyl ester Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)CCN(CC1=NC(=CO1)C(=O)OC)C(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H22BrN3O4/c1-12(2)7-8-22(10-16-21-15(11-26-16)17(23)25-3)18(24)20-14-6-4-5-13(19)9-14/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,20,24)