[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H22N2O4/c1-13-4-3-9-20(11-13)17(21)12-23-18(22)14(2)24-16-7-5-15(10-19)6-8-16/h5-8,13-14H,3-4,9,11-12H2,1-2H3/t13-,14-/m0/s1