2-[6-[[2-(hexanoylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-[[2-(hexanoylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-(hexanoylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[3-methyl-1-oxo-2-(1-oxohexylamino)butoxy]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-(hexanoylamino)-3-methylbutanoyl]oxymethyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-(caproylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(C)C)C(=O)OCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCC(=O)NC(C(C)C)C(=O)OCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C28H32N2O5/c1-4-5-6-11-25(31)30-26(18(2)3)28(34)35-17-19-12-14-23-20(16-19)13-15-24(29-23)21-9-7-8-10-22(21)27(32)33/h7-10,12-16,18,26H,4-6,11,17H2,1-3H3,(H,30,31)(H,32,33)