1,3-bis(chloranyl)propan-2-one; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 1,3-bis(chloranyl)propan-2-one; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid; 1,3-dichloropropan-2-one CAS Name: 1,3-dichloro-2-propanone; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 1,3-dichloropropan-2-one; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid; 1,3-dichloroacetone Formula: C17H23Cl2NO5 MolecularWeight: 392.27422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(=O)CCl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C(C(=O)CCl)Cl

InChI

InChI=1S/C14H19NO4.C3H4Cl2O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;4-1-3(6)2-5/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);1-2H2