4-[(E)-2-[3-(3-azanyl-1-oxidanyl-propyl)phenyl]-1,2-dideuterio-ethenyl]heptan-4-ol

Systemtic Name: 4-[(E)-2-[3-(3-azanyl-1-oxidanyl-propyl)phenyl]-1,2-dideuterio-ethenyl]heptan-4-ol Openeye Name: 4-[(E)-2-[3-(3-amino-1-hydroxy-propyl)phenyl]-1,2-dideuterio-vinyl]heptan-4-ol CAS Name: 4-[(E)-2-[3-(3-amino-1-hydroxypropyl)phenyl]-1,2-dideuterioethenyl]-4-heptanol IUPAC Name: 4-[(E)-2-[3-(3-amino-1-hydroxypropyl)phenyl]-1,2-dideuterioethenyl]heptan-4-ol Traditional Name: (E)-1-[3-(3-amino-1-hydroxy-propyl)phenyl]-1,2-dideuterio-3-propyl-hex-1-en-3-ol Formula: C18H29NO2 MolecularWeight: 293.440684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C=CC1=CC(=CC=C1)C(CCN)O)O

Isomeric SMILES

[2H]/C(=C(/[2H])\C(CCC)(CCC)O)/C1=CC(=CC=C1)C(CCN)O

InChI

InChI=1S/C18H29NO2/c1-3-10-18(21,11-4-2)12-8-15-6-5-7-16(14-15)17(20)9-13-19/h5-8,12,14,17,20-21H,3-4,9-11,13,19H2,1-2H3/b12-8+/i8D,12D