2-(4-azanylbutyl)-5-methoxy-3,6-bis(oxidanylidene)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 2-(4-azanylbutyl)-5-methoxy-3,6-bis(oxidanylidene)-1-phenylmethoxycarbonyl-piperidine-2-carboxylic acid Openeye Name: 2-(4-aminobutyl)-1-benzyloxycarbonyl-5-methoxy-3,6-dioxo-piperidine-2-carboxylic acid CAS Name: 2-(4-aminobutyl)-5-methoxy-3,6-dioxo-1-phenylmethoxycarbonyl-2-piperidinecarboxylic acid IUPAC Name: 2-(4-aminobutyl)-5-methoxy-3,6-dioxo-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid Traditional Name: 2-(4-aminobutyl)-1-carbobenzoxy-3,6-diketo-5-methoxy-pipecolinic acid Formula: C19H24N2O7 MolecularWeight: 392.40306

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=O)C(N(C1=O)C(=O)OCC2=CC=CC=C2)(CCCCN)C(=O)O

Isomeric SMILES

COC1CC(=O)C(N(C1=O)C(=O)OCC2=CC=CC=C2)(CCCCN)C(=O)O

InChI

InChI=1S/C19H24N2O7/c1-27-14-11-15(22)19(17(24)25,9-5-6-10-20)21(16(14)23)18(26)28-12-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12,20H2,1H3,(H,24,25)