methyl (2S)-1-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(3S)-1-(4,7-dimethyl-2-quinazolinyl)-3-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(3S)-1-(4,7-dimethylquinazolin-2-yl)nipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)N4CCCC4C(=O)OC)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](C3)C(=O)N4CCC[C@H]4C(=O)OC)C

InChI

InChI=1S/C22H28N4O3/c1-14-8-9-17-15(2)23-22(24-18(17)12-14)25-10-4-6-16(13-25)20(27)26-11-5-7-19(26)21(28)29-3/h8-9,12,16,19H,4-7,10-11,13H2,1-3H3/t16-,19-/m0/s1