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

Systemtic Name: 2-[6-[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]oxymethyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-(ethoxycarbonylamino)-3-methyl-1-oxobutoxy]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-(ethoxycarbonylamino)-3-methylbutanoyl]oxymethyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[[2-(carbethoxyamino)-3-methyl-butanoyl]oxymethyl]-2-quinolyl]benzoic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C25H26N2O6/c1-4-32-25(31)27-22(15(2)3)24(30)33-14-16-9-11-20-17(13-16)10-12-21(26-20)18-7-5-6-8-19(18)23(28)29/h5-13,15,22H,4,14H2,1-3H3,(H,27,31)(H,28,29)