methyl 4-[[(2-cyclopropylquinolin-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-cyclopropylquinolin-4-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(2-cyclopropylquinoline-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-cyclopropylquinoline-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(2-cyclopropylquinoline-4-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C22H20N2O3/c1-27-22(26)16-8-6-14(7-9-16)13-23-21(25)18-12-20(15-10-11-15)24-19-5-3-2-4-17(18)19/h2-9,12,15H,10-11,13H2,1H3,(H,23,25)