4-[[(6-ethylquinazolin-4-yl)amino]methyl]benzoate

Systemtic Name: 4-[[(6-ethylquinazolin-4-yl)amino]methyl]benzoate Openeye Name: 4-[[(6-ethylquinazolin-4-yl)amino]methyl]benzoate CAS Name: 4-[[(6-ethyl-4-quinazolinyl)amino]methyl]benzoate IUPAC Name: 4-[[(6-ethylquinazolin-4-yl)amino]methyl]benzoate Traditional Name: 4-[[(6-ethylquinazolin-4-yl)amino]methyl]benzoate Formula: C18H16N3O2- MolecularWeight: 306.33854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O2/c1-2-12-5-8-16-15(9-12)17(21-11-20-16)19-10-13-3-6-14(7-4-13)18(22)23/h3-9,11H,2,10H2,1H3,(H,22,23)(H,19,20,21)/p-1