ethyl 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Openeye Name: ethyl 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[(2-pentan-3-yl-4-quinazolinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Traditional Name: 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoic acid ethyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H25N3O2/c1-4-15(5-2)20-24-19-10-8-7-9-18(19)21(25-20)23-17-13-11-16(12-14-17)22(26)27-6-3/h7-15H,4-6H2,1-3H3,(H,23,24,25)