N-[(4-methylphenyl)methyl]-5-[[phenethyl(phenylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[phenethyl(phenylcarbonyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[benzoyl(phenethyl)amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: 5-[[benzoyl(phenethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[benzoyl(phenethyl)amino]methyl]-N-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzoyl(phenethyl)amino]methyl]-N-(4-methylbenzyl)isoxazole-3-carboxamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3/c1-21-12-14-23(15-13-21)19-29-27(32)26-18-25(34-30-26)20-31(17-16-22-8-4-2-5-9-22)28(33)24-10-6-3-7-11-24/h2-15,18H,16-17,19-20H2,1H3,(H,29,32)