(3S)-1-[4-(4-ethylpiperazin-1-yl)-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[4-(4-ethylpiperazin-1-yl)-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(4-ethylpiperazin-1-yl)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(4-ethyl-1-piperazinyl)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(4-ethylpiperazin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-(4-ethylpiperazino)-4-keto-butanoyl]nipecotic acid Formula: C16H27N3O4 MolecularWeight: 325.40328

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H27N3O4/c1-2-17-8-10-18(11-9-17)14(20)5-6-15(21)19-7-3-4-13(12-19)16(22)23/h13H,2-12H2,1H3,(H,22,23)/t13-/m0/s1