methyl 3-[2-[3-[(2-methylquinolin-4-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-methylquinolin-4-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-methylquinoline-4-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(2-methyl-4-quinolinyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-methylquinoline-4-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(2-methylquinoline-4-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H20N2O3 MolecularWeight: 420.4593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C27H20N2O3/c1-18-15-24(23-11-3-4-12-25(23)28-18)26(30)29-22-10-6-8-20(17-22)14-13-19-7-5-9-21(16-19)27(31)32-2/h3-12,15-17H,1-2H3,(H,29,30)