(3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[3-(4-aminophenyl)-3-oxidanylidene-propyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[3-(4-aminophenyl)-3-oxo-propyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[3-(4-aminophenyl)-3-oxopropyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[3-(4-aminophenyl)-3-keto-propyl]nipecotic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)C2=CC=C(C=C2)N)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CCC(=O)C2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C15H20N2O3/c16-13-5-3-11(4-6-13)14(18)7-9-17-8-1-2-12(10-17)15(19)20/h3-6,12H,1-2,7-10,16H2,(H,19,20)/t12-/m0/s1