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

Systemtic Name: methyl (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(=O)OC)CN2C=C(C3=CC=CC=C32)C#N)C

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C(=O)OC)CN2C=C(C3=CC=CC=C32)C#N)C

InChI

InChI=1S/C17H18N2O4/c1-17(2)22-14(15(23-17)16(20)21-3)10-19-9-11(8-18)12-6-4-5-7-13(12)19/h4-7,9,14-15H,10H2,1-3H3/t14-,15+/m0/s1