benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)pyrrolidin-3-ol

Systemtic Name: benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)pyrrolidin-3-ol Openeye Name: benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)pyrrolidin-3-ol CAS Name: benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)-3-pyrrolidinol IUPAC Name: benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)pyrrolidin-3-ol Traditional Name: benzoic acid; 2-ethyl-3-(4-hydroxyphenyl)pyrrolidin-3-ol Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN1)(C2=CC=C(C=C2)O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC1C(CCN1)(C2=CC=C(C=C2)O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H17NO2.C7H6O2/c1-2-11-12(15,7-8-13-11)9-3-5-10(14)6-4-9;8-7(9)6-4-2-1-3-5-6/h3-6,11,13-15H,2,7-8H2,1H3;1-5H,(H,8,9)