2-[3-ethanoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethanoate; (4-pentylcycloheptyl) ethanoate

Systemtic Name: 2-[3-ethanoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethanoate; (4-pentylcycloheptyl) ethanoate Openeye Name: 2-(3-acetyl-4-tert-butoxycarbonyl-phenyl)acetate; (4-pentylcycloheptyl) acetate CAS Name: acetic acid (4-pentylcycloheptyl) ester; 2-[3-acetyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]acetate IUPAC Name: 2-[3-acetyl-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]acetate; (4-pentylcycloheptyl) acetate Traditional Name: acetic acid (4-amylcycloheptyl) ester; 2-(3-acetyl-4-tert-butoxycarbonyl-phenyl)acetate Formula: C29H43O7- MolecularWeight: 503.64752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(CC1)OC(=O)C.CC(=O)C1=C(C=CC(=C1)CC(=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC1CCCC(CC1)OC(=O)C.CC(=O)C1=C(C=CC(=C1)CC(=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C15H18O5.C14H26O2/c1-9(16)12-7-10(8-13(17)18)5-6-11(12)14(19)20-15(2,3)4;1-3-4-5-7-13-8-6-9-14(11-10-13)16-12(2)15/h5-7H,8H2,1-4H3,(H,17,18);13-14H,3-11H2,1-2H3/p-1