5-[[(4-tert-butylphenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(4-tert-butylphenyl)carbonyl-(phenylmethyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]-N-(cyclopropylmethyl)isoxazole-3-carboxamide CAS Name: 5-[[[(4-tert-butylphenyl)-oxomethyl]-(phenylmethyl)amino]methyl]-N-(cyclopropylmethyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]-N-(cyclopropylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl-(4-tert-butylbenzoyl)amino]methyl]-N-(cyclopropylmethyl)isoxazole-3-carboxamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC(=NO3)C(=O)NCC4CC4

InChI

InChI=1S/C27H31N3O3/c1-27(2,3)22-13-11-21(12-14-22)26(32)30(17-20-7-5-4-6-8-20)18-23-15-24(29-33-23)25(31)28-16-19-9-10-19/h4-8,11-15,19H,9-10,16-18H2,1-3H3,(H,28,31)