[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-cyanophenyl)propanoate Openeye Name: [1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid [2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)CCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H20N2O3/c1-14-21(18-5-3-4-6-19(18)24-14)22(26)15(2)27-20(25)12-11-16-7-9-17(13-23)10-8-16/h3-10,15,24H,11-12H2,1-2H3