ethyl 4-[(4-butylphenyl)amino]quinazoline-2-carboxylate

Systemtic Name: ethyl 4-[(4-butylphenyl)amino]quinazoline-2-carboxylate Openeye Name: ethyl 4-(4-butylanilino)quinazoline-2-carboxylate CAS Name: 4-(4-butylanilino)-2-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylanilino)quinazoline-2-carboxylate Traditional Name: 4-(4-butylanilino)quinazoline-2-carboxylic acid ethyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C(=O)OCC

InChI

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