4-[(1-butyl-5-phenethyl-pyrrolidin-2-yl)methyl]benzene-1,2-diol

Systemtic Name: 4-[(1-butyl-5-phenethyl-pyrrolidin-2-yl)methyl]benzene-1,2-diol Openeye Name: 4-[(1-butyl-5-phenethyl-pyrrolidin-2-yl)methyl]benzene-1,2-diol CAS Name: 4-[(1-butyl-5-phenethyl-2-pyrrolidinyl)methyl]benzene-1,2-diol IUPAC Name: 4-[(1-butyl-5-phenethylpyrrolidin-2-yl)methyl]benzene-1,2-diol Traditional Name: 4-[(1-butyl-5-phenethyl-pyrrolidin-2-yl)methyl]pyrocatechol Formula: C23H31NO2 MolecularWeight: 353.49774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(CCC1CC2=CC(=C(C=C2)O)O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(CCC1CC2=CC(=C(C=C2)O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO2/c1-2-3-15-24-20(11-9-18-7-5-4-6-8-18)12-13-21(24)16-19-10-14-22(25)23(26)17-19/h4-8,10,14,17,20-21,25-26H,2-3,9,11-13,15-16H2,1H3