4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethoxy]benzaldehyde

Systemtic Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethoxy]benzaldehyde CAS Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-2-pyrrolidinyl]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propylpyrrolidin-2-yl]ethoxy]benzaldehyde Traditional Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-propyl-pyrrolidin-2-yl]ethoxy]benzaldehyde Formula: C20H31NO4 MolecularWeight: 349.46444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(C(C1CCOC2=CC=C(C=C2)C=O)OCC)OCC

Isomeric SMILES

CCCN1C[C@H]([C@H]([C@@H]1CCOC2=CC=C(C=C2)C=O)OCC)OCC

InChI

InChI=1S/C20H31NO4/c1-4-12-21-14-19(23-5-2)20(24-6-3)18(21)11-13-25-17-9-7-16(15-22)8-10-17/h7-10,15,18-20H,4-6,11-14H2,1-3H3/t18-,19+,20-/m0/s1