[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(C)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](C)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H20N2O4/c1-3-16-5-4-6-18-19(12-24-21(16)18)20(25)13-27-22(26)14(2)28-17-9-7-15(11-23)8-10-17/h4-10,12,14,24H,3,13H2,1-2H3/t14-/m0/s1