(1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethanamine

Systemtic Name: (1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethanamine Openeye Name: (1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethanamine CAS Name: (1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine IUPAC Name: (1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylethanamine Traditional Name: [(1S)-1-[(4S,5S)-5-hept-2-ynyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenyl-ethyl]amine Formula: C20H29NO2 MolecularWeight: 315.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC1C(OC(O1)(C)C)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCCC#CC[C@H]1[C@@H](OC(O1)(C)C)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C20H29NO2/c1-4-5-6-7-11-14-18-19(23-20(2,3)22-18)17(21)15-16-12-9-8-10-13-16/h8-10,12-13,17-19H,4-6,14-15,21H2,1-3H3/t17-,18-,19-/m0/s1