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

Systemtic Name: 2-[6-[[2-(cyclopropylcarbonylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-(cyclopropanecarbonylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-[[cyclopropyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-(cyclopropanecarbonylamino)-3-methylbutanoyl]oxymethyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-(cyclopropanecarbonylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

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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)C4CC4

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC2=C(C=C1)N=C(C=C2)C3=CC=CC=C3C(=O)O)NC(=O)C4CC4

InChI

InChI=1S/C26H26N2O5/c1-15(2)23(28-24(29)17-8-9-17)26(32)33-14-16-7-11-21-18(13-16)10-12-22(27-21)19-5-3-4-6-20(19)25(30)31/h3-7,10-13,15,17,23H,8-9,14H2,1-2H3,(H,28,29)(H,30,31)