3-ethyl-2-oxidanylidene-3-(3-phenylpropoxycarbonyl)pentanoic acid

Systemtic Name: 3-ethyl-2-oxidanylidene-3-(3-phenylpropoxycarbonyl)pentanoic acid Openeye Name: 3-ethyl-2-oxo-3-(3-phenylpropoxycarbonyl)pentanoic acid CAS Name: 3-ethyl-2-oxo-3-[oxo(3-phenylpropoxy)methyl]pentanoic acid IUPAC Name: 3-ethyl-2-oxo-3-(3-phenylpropoxycarbonyl)pentanoic acid Traditional Name: 3-ethyl-2-keto-3-(3-phenylpropoxycarbonyl)valeric acid Formula: C17H22O5 MolecularWeight: 306.35358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)C(=O)O)C(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)C(=O)O)C(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C17H22O5/c1-3-17(4-2,14(18)15(19)20)16(21)22-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,20)