1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-[4-(3-phenylpropoxy)phenyl]allyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-[4-(3-phenylpropoxy)phenyl]allyl]isonipecotic acid Formula: C24H29NO3 MolecularWeight: 379.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC=CC2=CC=C(C=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO3/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/h1-4,6-8,10-13,22H,5,9,14-19H2,(H,26,27)/b8-4+