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

Systemtic Name: methyl 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Openeye Name: methyl 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoate CAS Name: 4-[(2-pentan-3-yl-4-quinazolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pentan-3-ylquinazolin-4-yl)amino]benzoate Traditional Name: 4-[[2-(1-ethylpropyl)quinazolin-4-yl]amino]benzoic acid methyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-4-14(5-2)19-23-18-9-7-6-8-17(18)20(24-19)22-16-12-10-15(11-13-16)21(25)26-3/h6-14H,4-5H2,1-3H3,(H,22,23,24)