3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]benzene-1,2-diol

Systemtic Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]benzene-1,2-diol Openeye Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]benzene-1,2-diol CAS Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]benzene-1,2-diol IUPAC Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]benzene-1,2-diol Traditional Name: 3-[2-(3-hydroxyphenyl)ethyl]-4-[1-(1-phenethyloxyhexylamino)ethyl]pyrocatechol Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC(C)C1=C(C(=C(C=C1)O)O)CCC2=CC(=CC=C2)O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(NC(C)C1=C(C(=C(C=C1)O)O)CCC2=CC(=CC=C2)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C30H39NO4/c1-3-4-6-14-29(35-20-19-23-10-7-5-8-11-23)31-22(2)26-17-18-28(33)30(34)27(26)16-15-24-12-9-13-25(32)21-24/h5,7-13,17-18,21-22,29,31-34H,3-4,6,14-16,19-20H2,1-2H3