5-[2-[1-[1-(3-methoxy-4-phenylmethoxy-phenyl)but-3-ynoxy]hexylamino]-1-oxidanyl-ethyl]benzene-1,3-diol

Systemtic Name: 5-[2-[1-[1-(3-methoxy-4-phenylmethoxy-phenyl)but-3-ynoxy]hexylamino]-1-oxidanyl-ethyl]benzene-1,3-diol Openeye Name: 5-[2-[1-[1-(4-benzyloxy-3-methoxy-phenyl)but-3-ynoxy]hexylamino]-1-hydroxy-ethyl]benzene-1,3-diol CAS Name: 5-[1-hydroxy-2-[1-[1-(3-methoxy-4-phenylmethoxyphenyl)but-3-ynoxy]hexylamino]ethyl]benzene-1,3-diol IUPAC Name: 5-[1-hydroxy-2-[1-[1-(3-methoxy-4-phenylmethoxyphenyl)but-3-ynoxy]hexylamino]ethyl]benzene-1,3-diol Traditional Name: 5-[2-[1-[1-(4-benzoxy-3-methoxy-phenyl)but-3-ynoxy]hexylamino]-1-hydroxy-ethyl]resorcinol Formula: C32H39NO6 MolecularWeight: 533.65516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NCC(C1=CC(=CC(=C1)O)O)O)OC(CC#C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCCC(NCC(C1=CC(=CC(=C1)O)O)O)OC(CC#C)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C32H39NO6/c1-4-6-8-14-32(33-21-28(36)25-17-26(34)20-27(35)18-25)39-29(11-5-2)24-15-16-30(31(19-24)37-3)38-22-23-12-9-7-10-13-23/h2,7,9-10,12-13,15-20,28-29,32-36H,4,6,8,11,14,21-22H2,1,3H3