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

Systemtic Name: (3S)-1-[4-(azepan-1-yl)-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(azepan-1-yl)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(1-azepanyl)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(azepan-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-(azepan-1-yl)-4-keto-butanoyl]nipecotic acid Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C16H26N2O4/c19-14(17-9-3-1-2-4-10-17)7-8-15(20)18-11-5-6-13(12-18)16(21)22/h13H,1-12H2,(H,21,22)/t13-/m0/s1