(4R,5S)-5-benzamido-3-bromanyl-4-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: (4R,5S)-5-benzamido-3-bromanyl-4-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: (4R,5S)-5-benzamido-3-bromo-4-(4-methoxyphenyl)-4H-isoxazole-5-carboxylic acid CAS Name: (4R,5S)-5-benzamido-3-bromo-4-(4-methoxyphenyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: (4R,5S)-5-benzamido-3-bromo-4-(4-methoxyphenyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: (4R,5S)-5-benzamido-3-bromo-4-(4-methoxyphenyl)-2-isoxazoline-5-carboxylic acid Formula: C18H15BrN2O5 MolecularWeight: 419.2261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=NOC2(C(=O)O)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2C(=NO[C@@]2(C(=O)O)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O5/c1-25-13-9-7-11(8-10-13)14-15(19)21-26-18(14,17(23)24)20-16(22)12-5-3-2-4-6-12/h2-10,14H,1H3,(H,20,22)(H,23,24)/t14-,18-/m0/s1