3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; 3-phenoxybenzaldehyde

Systemtic Name: 3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; 3-phenoxybenzaldehyde Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propanoic acid; 3-phenoxybenzaldehyde CAS Name: 3-(4-iodophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid; 3-phenoxybenzaldehyde IUPAC Name: 3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid; 3-phenoxybenzaldehyde Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-iodophenyl)propionic acid; 3-phenoxybenzaldehyde Formula: C27H28INO6 MolecularWeight: 589.41879

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)C(=O)O.C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)I)C(=O)O.C1=CC=C(C=C1)OC2=CC=CC(=C2)C=O

InChI

InChI=1S/C14H18INO4.C13H10O2/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9;14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18);1-10H