4-[(2S)-2-[[4-bromanyl-3,5-bis(prop-2-enoxy)phenyl]methylamino]-3-oxidanyl-propyl]phenol

Systemtic Name: 4-[(2S)-2-[[4-bromanyl-3,5-bis(prop-2-enoxy)phenyl]methylamino]-3-oxidanyl-propyl]phenol Openeye Name: 4-[(2S)-2-[(3,5-diallyloxy-4-bromo-phenyl)methylamino]-3-hydroxy-propyl]phenol CAS Name: 4-[(2S)-2-[[4-bromo-3,5-bis(prop-2-enoxy)phenyl]methylamino]-3-hydroxypropyl]phenol IUPAC Name: 4-[(2S)-2-[[4-bromo-3,5-bis(prop-2-enoxy)phenyl]methylamino]-3-hydroxypropyl]phenol Traditional Name: 4-[(2S)-2-[(3,5-diallyloxy-4-bromo-benzyl)amino]-3-hydroxy-propyl]phenol Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC(=CC(=C1Br)OCC=C)CNC(CC2=CC=C(C=C2)O)CO

Isomeric SMILES

C=CCOC1=CC(=CC(=C1Br)OCC=C)CN[C@@H](CC2=CC=C(C=C2)O)CO

InChI

InChI=1S/C22H26BrNO4/c1-3-9-27-20-12-17(13-21(22(20)23)28-10-4-2)14-24-18(15-25)11-16-5-7-19(26)8-6-16/h3-8,12-13,18,24-26H,1-2,9-11,14-15H2/t18-/m0/s1