[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-14(16-8-4-3-5-9-16)12-20(24)25-13-19(23)21-15(2)22-18-11-7-6-10-17(18)21/h3-11,14,22H,12-13H2,1-2H3/t14-/m0/s1