2-[(4S,6R)-2,2-dimethyl-6-phenylmethoxy-1,3-dioxan-4-yl]ethanoic acid; (1S)-1-phenylethanamine

Systemtic Name: 2-[(4S,6R)-2,2-dimethyl-6-phenylmethoxy-1,3-dioxan-4-yl]ethanoic acid; (1S)-1-phenylethanamine Openeye Name: 2-[(4S,6R)-6-benzyloxy-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; (1S)-1-phenylethanamine CAS Name: 2-[(4S,6R)-2,2-dimethyl-6-phenylmethoxy-1,3-dioxan-4-yl]acetic acid; (1S)-1-phenylethanamine IUPAC Name: 2-[(4S,6R)-2,2-dimethyl-6-phenylmethoxy-1,3-dioxan-4-yl]acetic acid; (1S)-1-phenylethanamine Traditional Name: 2-[(4S,6R)-6-benzoxy-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid; [(1S)-1-phenylethyl]amine Formula: C23H31NO5 MolecularWeight: 401.49594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.CC1(OC(CC(O1)OCC2=CC=CC=C2)CC(=O)O)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N.CC1(O[C@@H](C[C@@H](O1)OCC2=CC=CC=C2)CC(=O)O)C

InChI

InChI=1S/C15H20O5.C8H11N/c1-15(2)19-12(8-13(16)17)9-14(20-15)18-10-11-6-4-3-5-7-11;1-7(9)8-5-3-2-4-6-8/h3-7,12,14H,8-10H2,1-2H3,(H,16,17);2-7H,9H2,1H3/t12-,14-;7-/m10/s1