2-[[3-(2-methyl-1-oxidanyl-hexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol

Systemtic Name: 2-[[3-(2-methyl-1-oxidanyl-hexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol Openeye Name: 2-[[3-(1-hydroxy-2-methyl-hexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol CAS Name: 2-[[3-(1-hydroxy-2-methylhexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol IUPAC Name: 2-[[3-(1-hydroxy-2-methylhexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol Traditional Name: 2-[[3-(1-hydroxy-2-methyl-hexyl)phenoxy]methyl]-5,6,7,8-tetrahydroquinoline-6,7-diol Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C1=CC(=CC=C1)OCC2=NC3=C(CC(C(C3)O)O)C=C2)O

Isomeric SMILES

CCCCC(C)C(C1=CC(=CC=C1)OCC2=NC3=C(CC(C(C3)O)O)C=C2)O

InChI

InChI=1S/C23H31NO4/c1-3-4-6-15(2)23(27)17-7-5-8-19(11-17)28-14-18-10-9-16-12-21(25)22(26)13-20(16)24-18/h5,7-11,15,21-23,25-27H,3-4,6,12-14H2,1-2H3