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

Systemtic Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethoxy]benzaldehyde CAS Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-2-pyrrolidinyl]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-methylpyrrolidin-2-yl]ethoxy]benzaldehyde Traditional Name: 4-[2-[(2S,3S,4R)-3,4-diethoxy-1-methyl-pyrrolidin-2-yl]ethoxy]benzaldehyde Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(C(C1OCC)CCOC2=CC=C(C=C2)C=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-4-21-17-12-19(3)16(18(17)22-5-2)10-11-23-15-8-6-14(13-20)7-9-15/h6-9,13,16-18H,4-5,10-12H2,1-3H3/t16-,17+,18-/m0/s1