3-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenoxy]propanal

Systemtic Name: 3-[4-[(3S)-3-methylpiperidin-1-yl]carbonylphenoxy]propanal Openeye Name: 3-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]propanal CAS Name: 3-[4-[[(3S)-3-methyl-1-piperidinyl]-oxomethyl]phenoxy]propanal IUPAC Name: 3-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]propanal Traditional Name: 3-[4-[(3S)-3-methylpiperidine-1-carbonyl]phenoxy]propionaldehyde Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC=C(C=C2)OCCC=O

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OCCC=O

InChI

InChI=1S/C16H21NO3/c1-13-4-2-9-17(12-13)16(19)14-5-7-15(8-6-14)20-11-3-10-18/h5-8,10,13H,2-4,9,11-12H2,1H3/t13-/m0/s1