1-[3-[4-(3-phenylpropoxy)phenyl]propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-[4-(3-phenylpropoxy)phenyl]propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[4-(3-phenylpropoxy)phenyl]propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-[4-(3-phenylpropoxy)phenyl]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[4-(3-phenylpropoxy)phenyl]propyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[4-(3-phenylpropoxy)phenyl]propyl]isonipecotic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCCC2=CC=C(C=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)CCCC2=CC=C(C=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO3/c26-24(27)22-14-17-25(18-15-22)16-4-8-21-10-12-23(13-11-21)28-19-5-9-20-6-2-1-3-7-20/h1-3,6-7,10-13,22H,4-5,8-9,14-19H2,(H,26,27)