4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid

Systemtic Name: 4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid Openeye Name: 4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid CAS Name: 4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butanoic acid Traditional Name: 4-[4-[[(E)-15-phenylpentadec-13-enyl]amino]phenyl]butyric acid Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC=CCCCCCCCCCCCCNC2=CC=C(C=C2)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C/C=C/CCCCCCCCCCCCNC2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C31H45NO2/c33-31(34)22-17-21-29-23-25-30(26-24-29)32-27-16-11-9-7-5-3-1-2-4-6-8-10-13-18-28-19-14-12-15-20-28/h10,12-15,19-20,23-26,32H,1-9,11,16-18,21-22,27H2,(H,33,34)/b13-10+