3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethyl)propanoic acid; prop-2-en-1-amine

Systemtic Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-2-(phenylmethyl)propanoic acid; prop-2-en-1-amine Openeye Name: 2-benzyl-3-tert-butoxy-3-oxo-propanoic acid; prop-2-en-1-amine CAS Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethyl)propanoic acid; 2-propen-1-amine IUPAC Name: 2-benzyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid; prop-2-en-1-amine Traditional Name: allylamine; 2-benzyl-3-tert-butoxy-3-keto-propionic acid Formula: C17H25NO4 MolecularWeight: 307.3847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)C(=O)O.C=CCN

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)C(=O)O.C=CCN

InChI

InChI=1S/C14H18O4.C3H7N/c1-14(2,3)18-13(17)11(12(15)16)9-10-7-5-4-6-8-10;1-2-3-4/h4-8,11H,9H2,1-3H3,(H,15,16);2H,1,3-4H2