ethyl 4-[[4-(2-methylpropoxy)phenyl]amino]quinazoline-2-carboxylate

Systemtic Name: ethyl 4-[[4-(2-methylpropoxy)phenyl]amino]quinazoline-2-carboxylate Openeye Name: ethyl 4-(4-isobutoxyanilino)quinazoline-2-carboxylate CAS Name: 4-[4-(2-methylpropoxy)anilino]-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylpropoxy)anilino]quinazoline-2-carboxylate Traditional Name: 4-(4-isobutoxyanilino)quinazoline-2-carboxylic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-4-26-21(25)20-23-18-8-6-5-7-17(18)19(24-20)22-15-9-11-16(12-10-15)27-13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,23,24)