N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrophenyl)carbonyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrophenyl)carbonyl-pentan-3-yl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[1-ethylpropyl-(3-nitrobenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]isoxazole-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[[(3-nitrophenyl)-oxomethyl]-pentan-3-ylamino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-5-[[(3-nitrobenzoyl)-pentan-3-ylamino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[1-ethylpropyl-(3-nitrobenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]isoxazole-3-carboxamide Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)N(CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O6/c1-4-20(5-2)29(26(32)19-7-6-8-21(15-19)30(33)34)17-23-16-24(28-36-23)25(31)27-14-13-18-9-11-22(35-3)12-10-18/h6-12,15-16,20H,4-5,13-14,17H2,1-3H3,(H,27,31)