3-cyanopropyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: 3-cyanopropyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: 3-cyanopropyl 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethoxy]benzoic acid 3-cyanopropyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)OCCCC#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C(=O)OCCCC#N)C

InChI

InChI=1S/C20H26N2O4/c1-15-6-5-7-16(2)22(15)19(23)14-26-18-10-8-17(9-11-18)20(24)25-13-4-3-12-21/h8-11,15-16H,3-7,13-14H2,1-2H3/t15-,16-/m0/s1