2-(2-methylnaphthalen-1-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-heptyl]propanedioic acid

Systemtic Name: 2-(2-methylnaphthalen-1-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-heptyl]propanedioic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-2-oxo-heptyl]-2-(2-methyl-1-naphthyl)propanedioic acid CAS Name: 2-(2-methyl-1-naphthalenyl)-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxoheptyl]propanedioic acid IUPAC Name: 2-(2-methylnaphthalen-1-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoheptyl]propanedioic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-2-keto-heptyl]-2-(2-methyl-1-naphthyl)malonic acid Formula: C26H33NO7 MolecularWeight: 471.54272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CC(C1=C(C=CC2=CC=CC=C21)C)(C(=O)O)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)CC(C1=C(C=CC2=CC=CC=C21)C)(C(=O)O)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H33NO7/c1-6-7-12-19(27-24(33)34-25(3,4)5)20(28)15-26(22(29)30,23(31)32)21-16(2)13-14-17-10-8-9-11-18(17)21/h8-11,13-14,19H,6-7,12,15H2,1-5H3,(H,27,33)(H,29,30)(H,31,32)