(4-azanylquinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid (4-aminoquinazolin-2-yl)methyl ester Formula: C23H26N4O5 MolecularWeight: 438.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H26N4O5/c1-13(2)20(27-22(28)14-9-15(30-3)11-16(10-14)31-4)23(29)32-12-19-25-18-8-6-5-7-17(18)21(24)26-19/h5-11,13,20H,12H2,1-4H3,(H,27,28)(H2,24,25,26)/t20-/m0/s1