5-oxidanylidene-5-phenylmethoxy-4-[(3-phenylmethoxycarbonylphenyl)methyl]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-phenylmethoxy-4-[(3-phenylmethoxycarbonylphenyl)methyl]pentanoic acid Openeye Name: 5-benzyloxy-4-[(3-benzyloxycarbonylphenyl)methyl]-5-oxo-pentanoic acid CAS Name: 5-oxo-5-phenylmethoxy-4-[(3-phenylmethoxycarbonylphenyl)methyl]pentanoic acid IUPAC Name: 5-oxo-5-phenylmethoxy-4-[(3-phenylmethoxycarbonylphenyl)methyl]pentanoic acid Traditional Name: 5-benzoxy-4-(3-carbobenzoxybenzyl)-5-keto-valeric acid Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CC(CCC(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)CC(CCC(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26O6/c28-25(29)15-14-24(27(31)33-19-21-10-5-2-6-11-21)17-22-12-7-13-23(16-22)26(30)32-18-20-8-3-1-4-9-20/h1-13,16,24H,14-15,17-19H2,(H,28,29)