2-azanyl-3-[4-[(2-bromophenyl)methoxycarbonyloxy]-2-butoxycarbonyl-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-[(2-bromophenyl)methoxycarbonyloxy]-2-butoxycarbonyl-phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[(2-bromophenyl)methoxycarbonyloxy]-2-butoxycarbonyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-[(2-bromophenyl)methoxy-oxomethoxy]-2-[butoxy(oxo)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[(2-bromophenyl)methoxycarbonyloxy]-2-butoxycarbonylphenyl]propanoic acid Traditional Name: 2-amino-3-[4-(2-bromobenzyl)oxycarbonyloxy-2-butoxycarbonyl-phenyl]propionic acid Formula: C22H24BrNO7 MolecularWeight: 494.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CC(=C1)OC(=O)OCC2=CC=CC=C2Br)CC(C(=O)O)N

Isomeric SMILES

CCCCOC(=O)C1=C(C=CC(=C1)OC(=O)OCC2=CC=CC=C2Br)CC(C(=O)O)N

InChI

InChI=1S/C22H24BrNO7/c1-2-3-10-29-21(27)17-12-16(9-8-14(17)11-19(24)20(25)26)31-22(28)30-13-15-6-4-5-7-18(15)23/h4-9,12,19H,2-3,10-11,13,24H2,1H3,(H,25,26)