ethanoic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]benzene-1,2-diol

Systemtic Name: ethanoic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]benzene-1,2-diol Openeye Name: acetic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]benzene-1,2-diol CAS Name: acetic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]benzene-1,2-diol IUPAC Name: acetic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]benzene-1,2-diol Traditional Name: acetic acid; 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidino]ethyl]pyrocatechol Formula: C27H39NO9 MolecularWeight: 521.59986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCN(C1)CCC2=CC(=C(C=C2)O)O)C3=CC(=CC=C3)O.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCC1(CCN(C1)CCC2=CC(=C(C=C2)O)O)C3=CC(=CC=C3)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C21H27NO3.3C2H4O2/c1-2-9-21(17-4-3-5-18(23)14-17)10-12-22(15-21)11-8-16-6-7-19(24)20(25)13-16;3*1-2(3)4/h3-7,13-14,23-25H,2,8-12,15H2,1H3;3*1H3,(H,3,4)