2-phenethyl-3-phenylmethoxycarbonyl-pentanedioic acid

Systemtic Name: 2-phenethyl-3-phenylmethoxycarbonyl-pentanedioic acid Openeye Name: 3-benzyloxycarbonyl-2-phenethyl-pentanedioic acid CAS Name: 2-phenethyl-3-phenylmethoxycarbonylpentanedioic acid IUPAC Name: 2-phenethyl-3-phenylmethoxycarbonylpentanedioic acid Traditional Name: 3-carbobenzoxy-2-phenethyl-glutaric acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CC(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CC(=O)O)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H22O6/c22-19(23)13-18(21(26)27-14-16-9-5-2-6-10-16)17(20(24)25)12-11-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,22,23)(H,24,25)