2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(pentylamino)-2-(pyridin-3-ylcarbonylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[3-oxidanylidene-3-(pentylamino)-2-(pyridin-3-ylcarbonylamino)propyl]benzoic acid Openeye Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(pentylamino)-2-(pyridine-3-carbonylamino)propyl]benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[3-oxo-2-[[oxo(3-pyridinyl)methyl]amino]-3-(pentylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[3-oxo-3-(pentylamino)-2-(pyridine-3-carbonylamino)propyl]benzoic acid Traditional Name: 5-[3-(amylamino)-3-keto-2-nicotinamido-propyl]-2-(carboxymethyloxy)benzoic acid Formula: C23H27N3O7 MolecularWeight: 457.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C23H27N3O7/c1-2-3-4-10-25-22(30)18(26-21(29)16-6-5-9-24-13-16)12-15-7-8-19(33-14-20(27)28)17(11-15)23(31)32/h5-9,11,13,18H,2-4,10,12,14H2,1H3,(H,25,30)(H,26,29)(H,27,28)(H,31,32)