tert-butyl 2-[(2-cyclohexylquinazolin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: tert-butyl 2-[(2-cyclohexylquinazolin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: tert-butyl 2-[(2-cyclohexylquinazolin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: 2-[(2-cyclohexyl-4-quinazolinyl)amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-cyclohexylquinazolin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: 2-[(2-cyclohexylquinazolin-4-yl)amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid tert-butyl ester Formula: C30H38N4O4 MolecularWeight: 518.64712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC(=NC3=CC=CC=C32)C4CCCCC4

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC2=NC(=NC3=CC=CC=C32)C4CCCCC4

InChI

InChI=1S/C30H38N4O4/c1-30(2,3)38-28(35)25(19-20-15-17-22(18-16-20)37-29(36)34(4)5)32-27-23-13-9-10-14-24(23)31-26(33-27)21-11-7-6-8-12-21/h9-10,13-18,21,25H,6-8,11-12,19H2,1-5H3,(H,31,32,33)