ethanoic acid; 3-(1-phenethyl-3-propyl-pyrrolidin-3-yl)phenol

Systemtic Name: ethanoic acid; 3-(1-phenethyl-3-propyl-pyrrolidin-3-yl)phenol Openeye Name: acetic acid; 3-(1-phenethyl-3-propyl-pyrrolidin-3-yl)phenol CAS Name: acetic acid; 3-(1-phenethyl-3-propyl-3-pyrrolidinyl)phenol IUPAC Name: acetic acid; 3-(1-phenethyl-3-propylpyrrolidin-3-yl)phenol Traditional Name: acetic acid; 3-(1-phenethyl-3-propyl-pyrrolidin-3-yl)phenol Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO.C2H4O2/c1-2-12-21(19-9-6-10-20(23)16-19)13-15-22(17-21)14-11-18-7-4-3-5-8-18;1-2(3)4/h3-10,16,23H,2,11-15,17H2,1H3;1H3,(H,3,4)