2-[3-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate

Systemtic Name: 2-[3-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(E)-2-cyano-3-(4-methyl-1-piperidyl)-3-oxo-prop-1-enyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-2-cyano-3-(4-methyl-1-piperidinyl)-3-oxoprop-1-enyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(E)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-2-cyano-3-keto-3-(4-methylpiperidino)prop-1-enyl]indol-1-yl]acetate Formula: C20H20N3O3- MolecularWeight: 350.3911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(=CC2=CN(C3=CC=CC=C32)CC(=O)[O-])C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC(=O)[O-])/C#N

InChI

InChI=1S/C20H21N3O3/c1-14-6-8-22(9-7-14)20(26)15(11-21)10-16-12-23(13-19(24)25)18-5-3-2-4-17(16)18/h2-5,10,12,14H,6-9,13H2,1H3,(H,24,25)/p-1/b15-10+