5-[[(4-tert-butylphenyl)carbonyl-prop-2-enyl-amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(4-tert-butylphenyl)carbonyl-prop-2-enyl-amino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[allyl-(4-tert-butylbenzoyl)amino]methyl]-N-[(3-chlorophenyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[[[(4-tert-butylphenyl)-oxomethyl]-prop-2-enylamino]methyl]-N-[(3-chlorophenyl)methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[(4-tert-butylbenzoyl)-prop-2-enylamino]methyl]-N-[(3-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[allyl-(4-tert-butylbenzoyl)amino]methyl]-N-(3-chlorobenzyl)isoxazole-3-carboxamide Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC=C)CC2=CC(=NO2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H28ClN3O3/c1-5-13-30(25(32)19-9-11-20(12-10-19)26(2,3)4)17-22-15-23(29-33-22)24(31)28-16-18-7-6-8-21(27)14-18/h5-12,14-15H,1,13,16-17H2,2-4H3,(H,28,31)