methyl (2S)-2-[[2-[[(3-methoxyphenyl)carbonylamino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-[[(3-methoxyphenyl)carbonylamino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[[(3-methoxybenzoyl)amino]methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-4-quinazolinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[(3-methoxybenzoyl)amino]methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(m-anisoylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H26N4O4/c1-14(2)20(23(29)31-4)27-21-17-10-5-6-11-18(17)25-19(26-21)13-24-22(28)15-8-7-9-16(12-15)30-3/h5-12,14,20H,13H2,1-4H3,(H,24,28)(H,25,26,27)/t20-/m0/s1