3-[[4-[6-[(2-methylpropan-2-yl)oxycarbonyl]octan-2-yl]phenyl]methoxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[6-[(2-methylpropan-2-yl)oxycarbonyl]octan-2-yl]phenyl]methoxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[4-(5-tert-butoxycarbonyl-1-methyl-heptyl)phenyl]methoxy]-3-oxo-propanoic acid CAS Name: 3-[[4-[6-[(2-methylpropan-2-yl)oxy-oxomethyl]octan-2-yl]phenyl]methoxy]-3-oxopropanoic acid IUPAC Name: 3-[[4-[6-[(2-methylpropan-2-yl)oxycarbonyl]octan-2-yl]phenyl]methoxy]-3-oxopropanoic acid Traditional Name: 3-[4-(5-tert-butoxycarbonyl-1-methyl-heptyl)benzyl]oxy-3-keto-propionic acid Formula: C23H34O6 MolecularWeight: 406.51246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(C)C1=CC=C(C=C1)COC(=O)CC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCCC(C)C1=CC=C(C=C1)COC(=O)CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H34O6/c1-6-18(22(27)29-23(3,4)5)9-7-8-16(2)19-12-10-17(11-13-19)15-28-21(26)14-20(24)25/h10-13,16,18H,6-9,14-15H2,1-5H3,(H,24,25)