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

Systemtic Name: 2-[6-[[2-(cyclopentylcarbonylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-(cyclopentanecarbonylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-[[cyclopentyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-(cyclopentanecarbonylamino)-3-methylbutanoyl]oxymethyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-(cyclopentanecarbonylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid Formula: C28H30N2O5 MolecularWeight: 474.5482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)NC(=O)C4CCCC4

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)NC(=O)C4CCCC4

InChI

InChI=1S/C28H30N2O5/c1-17(2)25(30-26(31)19-7-3-4-8-19)28(34)35-16-18-11-13-23-20(15-18)12-14-24(29-23)21-9-5-6-10-22(21)27(32)33/h5-6,9-15,17,19,25H,3-4,7-8,16H2,1-2H3,(H,30,31)(H,32,33)