methyl 2-methoxy-5-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoate CAS Name: 2-methoxy-5-[[[2-(3-pyridinyl)-4-quinazolinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 2-methoxy-5-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]benzoic acid methyl ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C23H20N4O3/c1-29-20-10-9-15(12-18(20)23(28)30-2)13-25-22-17-7-3-4-8-19(17)26-21(27-22)16-6-5-11-24-14-16/h3-12,14H,13H2,1-2H3,(H,25,26,27)