methyl (2S)-3-methyl-2-[[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-(4,6,7-trimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[1-(4,6,7-trimethylquinazolin-2-yl)isonipecotoyl]amino]butyric acid methyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N[C@@H](C(C)C)C(=O)OC)C)C

InChI

InChI=1S/C23H32N4O3/c1-13(2)20(22(29)30-6)26-21(28)17-7-9-27(10-8-17)23-24-16(5)18-11-14(3)15(4)12-19(18)25-23/h11-13,17,20H,7-10H2,1-6H3,(H,26,28)/t20-/m0/s1