butanoic acid; 1,2-dimethyl-3-phenyl-pyrrolidin-3-ol

Systemtic Name: butanoic acid; 1,2-dimethyl-3-phenyl-pyrrolidin-3-ol Openeye Name: butyric acid; 1,2-dimethyl-3-phenyl-pyrrolidin-3-ol CAS Name: butanoic acid; 1,2-dimethyl-3-phenyl-3-pyrrolidinol IUPAC Name: butanoic acid; 1,2-dimethyl-3-phenylpyrrolidin-3-ol Traditional Name: butyric acid; 1,2-dimethyl-3-phenyl-pyrrolidin-3-ol Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.CC1C(CCN1C)(C2=CC=CC=C2)O

Isomeric SMILES

CCCC(=O)O.CC1C(CCN1C)(C2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO.C4H8O2/c1-10-12(14,8-9-13(10)2)11-6-4-3-5-7-11;1-2-3-4(5)6/h3-7,10,14H,8-9H2,1-2H3;2-3H2,1H3,(H,5,6)