(3S)-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-(4-methoxyphenyl)-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-(4-methoxyphenyl)ethyl]nipecotic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2CCCC(C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H19NO4/c1-20-13-6-4-11(5-7-13)14(17)10-16-8-2-3-12(9-16)15(18)19/h4-7,12H,2-3,8-10H2,1H3,(H,18,19)/t12-/m0/s1