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

Systemtic Name: 2-[6-[[2-(butanoylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-(butanoylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[3-methyl-1-oxo-2-(1-oxobutylamino)butoxy]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-(butanoylamino)-3-methylbutanoyl]oxymethyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[(2-butyramido-3-methyl-butanoyl)oxymethyl]-2-quinolyl]benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C26H28N2O5/c1-4-7-23(29)28-24(16(2)3)26(32)33-15-17-10-12-21-18(14-17)11-13-22(27-21)19-8-5-6-9-20(19)25(30)31/h5-6,8-14,16,24H,4,7,15H2,1-3H3,(H,28,29)(H,30,31)