N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]quinoline-2-carboxamide

Systemtic Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]quinoline-2-carboxamide Openeye Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]quinoline-2-carboxamide CAS Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-2-quinolinecarboxamide IUPAC Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]quinoline-2-carboxamide Traditional Name: N-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]quinaldamide Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H22N2O3/c1-22(2)26-14-19(20(27-22)16-9-4-3-5-10-16)24-21(25)18-13-12-15-8-6-7-11-17(15)23-18/h3-13,19-20H,14H2,1-2H3,(H,24,25)/t19-,20-/m0/s1