dimethyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidin-4-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[1-(4,7-dimethyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)piperidine-4-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[1-(4,7-dimethylquinazolin-2-yl)isonipecotoyl]amino]glutaric acid dimethyl ester Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)NC(CCC(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)C

InChI

InChI=1S/C23H30N4O5/c1-14-5-6-17-15(2)24-23(26-19(17)13-14)27-11-9-16(10-12-27)21(29)25-18(22(30)32-4)7-8-20(28)31-3/h5-6,13,16,18H,7-12H2,1-4H3,(H,25,29)/t18-/m0/s1