methyl 4-[2-[(2-pyridin-2-ylquinolin-4-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(2-pyridin-2-ylquinolin-4-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(2-pyridyl)quinoline-4-carbonyl]amino]ethyl]benzoate CAS Name: 4-[2-[[oxo-[2-(2-pyridinyl)-4-quinolinyl]methyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(2-pyridyl)quinoline-4-carbonyl]amino]ethyl]benzoic acid methyl ester Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4

InChI

InChI=1S/C25H21N3O3/c1-31-25(30)18-11-9-17(10-12-18)13-15-27-24(29)20-16-23(22-8-4-5-14-26-22)28-21-7-3-2-6-19(20)21/h2-12,14,16H,13,15H2,1H3,(H,27,29)