methyl 4-[[methyl-(2-pyridin-4-ylquinolin-4-yl)carbonyl-amino]methyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C25H21N3O3/c1-28(16-17-7-9-19(10-8-17)25(30)31-2)24(29)21-15-23(18-11-13-26-14-12-18)27-22-6-4-3-5-20(21)22/h3-15H,16H2,1-2H3