1-[(E)-octadec-9-enoyl]-4-phenyl-piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-octadec-9-enoyl]-4-phenyl-piperidine-4-carboxylic acid Openeye Name: 1-[(E)-octadec-9-enoyl]-4-phenyl-piperidine-4-carboxylic acid CAS Name: 1-[(E)-1-oxooctadec-9-enyl]-4-phenyl-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-octadec-9-enoyl]-4-phenylpiperidine-4-carboxylic acid Traditional Name: 1-[(E)-octadec-9-enoyl]-4-phenyl-isonipecotic acid Formula: C30H47NO3 MolecularWeight: 469.69908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C30H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-28(32)31-25-23-30(24-26-31,29(33)34)27-20-17-16-18-21-27/h9-10,16-18,20-21H,2-8,11-15,19,22-26H2,1H3,(H,33,34)/b10-9+