2-benzamido-2-[2-[(2S)-1-bromanyl-3-phenyl-propan-2-yl]oxy-5-methoxycarbonyl-phenyl]ethanoic acid

Systemtic Name: 2-benzamido-2-[2-[(2S)-1-bromanyl-3-phenyl-propan-2-yl]oxy-5-methoxycarbonyl-phenyl]ethanoic acid Openeye Name: 2-benzamido-2-[2-[(1S)-1-benzyl-2-bromo-ethoxy]-5-methoxycarbonyl-phenyl]acetic acid CAS Name: 2-benzamido-2-[2-[(2S)-1-bromo-3-phenylpropan-2-yl]oxy-5-methoxycarbonylphenyl]acetic acid IUPAC Name: 2-benzamido-2-[2-[(2S)-1-bromo-3-phenylpropan-2-yl]oxy-5-methoxycarbonylphenyl]acetic acid Traditional Name: 2-benzamido-2-[2-[(1S)-1-benzyl-2-bromo-ethoxy]-5-carbomethoxy-phenyl]acetic acid Formula: C26H24BrNO6 MolecularWeight: 526.37586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OC(CC2=CC=CC=C2)CBr)C(C(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O[C@@H](CC2=CC=CC=C2)CBr)C(C(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H24BrNO6/c1-33-26(32)19-12-13-22(34-20(16-27)14-17-8-4-2-5-9-17)21(15-19)23(25(30)31)28-24(29)18-10-6-3-7-11-18/h2-13,15,20,23H,14,16H2,1H3,(H,28,29)(H,30,31)/t20-,23?/m0/s1