2-[(2-phenylquinazolin-4-yl)amino]ethyl 4-tert-butylbenzoate

Systemtic Name: 2-[(2-phenylquinazolin-4-yl)amino]ethyl 4-tert-butylbenzoate Openeye Name: 2-[(2-phenylquinazolin-4-yl)amino]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[(2-phenyl-4-quinazolinyl)amino]ethyl ester IUPAC Name: 2-[(2-phenylquinazolin-4-yl)amino]ethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[(2-phenylquinazolin-4-yl)amino]ethyl ester Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2/c1-27(2,3)21-15-13-20(14-16-21)26(31)32-18-17-28-25-22-11-7-8-12-23(22)29-24(30-25)19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,28,29,30)