2-(2-azanylethyl)-4-(6-ethoxyhexyl)-5-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diol

Systemtic Name: 2-(2-azanylethyl)-4-(6-ethoxyhexyl)-5-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diol Openeye Name: 2-(2-aminoethyl)-4-(6-ethoxyhexyl)-5-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diol CAS Name: 2-(2-aminoethyl)-4-(6-ethoxyhexyl)-5-[4-(1-pyrrolidinyl)phenyl]benzene-1,3-diol IUPAC Name: 2-(2-aminoethyl)-4-(6-ethoxyhexyl)-5-(4-pyrrolidin-1-ylphenyl)benzene-1,3-diol Traditional Name: 2-(2-aminoethyl)-4-(6-ethoxyhexyl)-5-(4-pyrrolidinophenyl)resorcinol Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCCC1=C(C(=C(C=C1C2=CC=C(C=C2)N3CCCC3)O)CCN)O

Isomeric SMILES

CCOCCCCCCC1=C(C(=C(C=C1C2=CC=C(C=C2)N3CCCC3)O)CCN)O

InChI

InChI=1S/C26H38N2O3/c1-2-31-18-8-4-3-5-9-22-24(19-25(29)23(14-15-27)26(22)30)20-10-12-21(13-11-20)28-16-6-7-17-28/h10-13,19,29-30H,2-9,14-18,27H2,1H3