3-methylbutanoyl (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: 3-methylbutanoyl (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: 3-methylbutanoyl (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: (4R,5S)-5-[(3-cyano-1-indolyl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (3-methyl-1-oxobutyl) ester IUPAC Name: 3-methylbutanoyl (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid isovaleryl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(=O)C1C(OC(O1)(C)C)CN2C=C(C3=CC=CC=C32)C#N

Isomeric SMILES

CC(C)CC(=O)OC(=O)[C@H]1[C@@H](OC(O1)(C)C)CN2C=C(C3=CC=CC=C32)C#N

InChI

InChI=1S/C21H24N2O5/c1-13(2)9-18(24)26-20(25)19-17(27-21(3,4)28-19)12-23-11-14(10-22)15-7-5-6-8-16(15)23/h5-8,11,13,17,19H,9,12H2,1-4H3/t17-,19+/m0/s1