5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-4-(phenylmethyl)pentanoic acid

Systemtic Name: 5-ethoxy-4-ethoxycarbonyl-5-oxidanylidene-4-(phenylmethyl)pentanoic acid Openeye Name: 4-benzyl-5-ethoxy-4-ethoxycarbonyl-5-oxo-pentanoic acid CAS Name: 5-ethoxy-4-ethoxycarbonyl-5-oxo-4-(phenylmethyl)pentanoic acid IUPAC Name: 4-benzyl-5-ethoxy-4-ethoxycarbonyl-5-oxopentanoic acid Traditional Name: 4-benzyl-4-carbethoxy-5-ethoxy-5-keto-valeric acid Formula: C17H22O6 MolecularWeight: 322.35298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)O)(CC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC(=O)O)(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H22O6/c1-3-22-15(20)17(11-10-14(18)19,16(21)23-4-2)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,19)