ethyl 3-[2-methyl-1-(3-phenylpropanoylamino)propyl]-5-(phenylmethyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: ethyl 3-[2-methyl-1-(3-phenylpropanoylamino)propyl]-5-(phenylmethyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: ethyl 5-benzyl-3-[2-methyl-1-(3-phenylpropanoylamino)propyl]-4H-isoxazole-5-carboxylate CAS Name: 3-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]-5-(phenylmethyl)-4H-isoxazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-3-[2-methyl-1-(3-phenylpropanoylamino)propyl]-4H-1,2-oxazole-5-carboxylate Traditional Name: 5-benzyl-3-[1-(hydrocinnamoylamino)-2-methyl-propyl]-2-isoxazoline-5-carboxylic acid ethyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(=NO1)C(C(C)C)NC(=O)CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC(=NO1)C(C(C)C)NC(=O)CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4/c1-4-31-25(30)26(17-21-13-9-6-10-14-21)18-22(28-32-26)24(19(2)3)27-23(29)16-15-20-11-7-5-8-12-20/h5-14,19,24H,4,15-18H2,1-3H3,(H,27,29)