1-[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-4-methyl-pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methyl-1-oxopentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-(2,4-diketo-1H-quinazolin-3-yl)-4-methyl-pentanoyl]isonipecotic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H25N3O5/c1-12(2)11-16(18(25)22-9-7-13(8-10-22)19(26)27)23-17(24)14-5-3-4-6-15(14)21-20(23)28/h3-6,12-13,16H,7-11H2,1-2H3,(H,21,28)(H,26,27)/t16-/m0/s1