(2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]butan-1-ol

Systemtic Name: (2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]butan-1-ol Openeye Name: (2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]butan-1-ol CAS Name: (2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]-1-butanol IUPAC Name: (2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]butan-1-ol Traditional Name: (2S)-3-methyl-2-[[(1S)-1-(1H-pyrrol-2-yl)but-3-enyl]amino]butan-1-ol Formula: C13H22N2O MolecularWeight: 222.32658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC(CC=C)C1=CC=CN1

Isomeric SMILES

CC(C)[C@@H](CO)N[C@@H](CC=C)C1=CC=CN1

InChI

InChI=1S/C13H22N2O/c1-4-6-12(11-7-5-8-14-11)15-13(9-16)10(2)3/h4-5,7-8,10,12-16H,1,6,9H2,2-3H3/t12-,13+/m0/s1