4-[[6-[(2-methoxypyridin-4-yl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[(2-methoxypyridin-4-yl)methylcarbamoyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[(2-methoxy-4-pyridyl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[[(2-methoxy-4-pyridinyl)methylamino]-oxomethyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[(2-methoxypyridin-4-yl)methylcarbamoyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[(2-methoxy-4-pyridyl)methylcarbamoyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=NC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H21N3O5/c1-33-22-11-16(8-9-26-22)13-28-24(30)18-6-7-21-20(12-18)23(29)19(14-27-21)10-15-2-4-17(5-3-15)25(31)32/h2-9,11-12,14H,10,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)