(E)-4-[3-(6-azanylhexoxy)-5-phenylmethoxy-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[3-(6-azanylhexoxy)-5-phenylmethoxy-phenyl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[3-(6-aminohexoxy)-5-benzyloxy-phenyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[3-(6-aminohexoxy)-5-phenylmethoxyphenyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[3-(6-aminohexoxy)-5-phenylmethoxyphenyl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[3-(6-aminohexoxy)-5-benzoxy-phenyl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=CC(=O)C(=O)O)O)OCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)/C(=C\C(=O)C(=O)O)/O)OCCCCCCN

InChI

InChI=1S/C23H27NO6/c24-10-6-1-2-7-11-29-19-12-18(21(25)15-22(26)23(27)28)13-20(14-19)30-16-17-8-4-3-5-9-17/h3-5,8-9,12-15,25H,1-2,6-7,10-11,16,24H2,(H,27,28)/b21-15+