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

Systemtic Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid Openeye Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid CAS Name: (4R,5S)-5-[(3-cyano-1-indolyl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid IUPAC Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid Traditional Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-16(2)21-13(14(22-16)15(19)20)9-18-8-10(7-17)11-5-3-4-6-12(11)18/h3-6,8,13-14H,9H2,1-2H3,(H,19,20)/t13-,14+/m0/s1