3-heptan-2-yloxycarbonyl-4-phenyl-benzoate

Systemtic Name: 3-heptan-2-yloxycarbonyl-4-phenyl-benzoate Openeye Name: 3-(1-methylhexoxycarbonyl)-4-phenyl-benzoate CAS Name: 3-[heptan-2-yloxy(oxo)methyl]-4-phenylbenzoate IUPAC Name: 3-heptan-2-yloxycarbonyl-4-phenylbenzoate Traditional Name: 3-(1-methylhexoxycarbonyl)-4-phenyl-benzoate Formula: C21H23O4- MolecularWeight: 339.40492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)OC(=O)C1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H24O4/c1-3-4-6-9-15(2)25-21(24)19-14-17(20(22)23)12-13-18(19)16-10-7-5-8-11-16/h5,7-8,10-15H,3-4,6,9H2,1-2H3,(H,22,23)/p-1