(2S)-1-(azepan-1-yl)-3-[3-[(prop-2-enylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[3-[(prop-2-enylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-[3-[(allylamino)methyl]phenoxy]-3-(azepan-1-yl)propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[3-[(prop-2-enylamino)methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[3-[(prop-2-enylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-[3-[(allylamino)methyl]phenoxy]-3-(azepan-1-yl)propan-2-ol Formula: C19H30N2O2 MolecularWeight: 318.4537

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC1=CC(=CC=C1)OCC(CN2CCCCCC2)O

Isomeric SMILES

C=CCNCC1=CC(=CC=C1)OC[C@H](CN2CCCCCC2)O

InChI

InChI=1S/C19H30N2O2/c1-2-10-20-14-17-8-7-9-19(13-17)23-16-18(22)15-21-11-5-3-4-6-12-21/h2,7-9,13,18,20,22H,1,3-6,10-12,14-16H2/t18-/m0/s1