(Z,2R,3S)-2-phenyl-16-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)hexadec-13-enoic acid

Systemtic Name: (Z,2R,3S)-2-phenyl-16-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)hexadec-13-enoic acid Openeye Name: (Z,2R,3S)-2-phenyl-16-(3-pyridyl)-3-[13-(3-pyridyl)tridecylamino]hexadec-13-enoic acid CAS Name: (Z,2R,3S)-2-phenyl-16-(3-pyridinyl)-3-[13-(3-pyridinyl)tridecylamino]-13-hexadecenoic acid IUPAC Name: (Z,2R,3S)-2-phenyl-16-pyridin-3-yl-3-(13-pyridin-3-yltridecylamino)hexadec-13-enoic acid Traditional Name: (Z,2R,3S)-2-phenyl-16-(3-pyridyl)-3-[13-(3-pyridyl)tridecylamino]hexadec-13-enoic acid Formula: C45H67N3O2 MolecularWeight: 682.03238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCCCCCCC=CCCC2=CN=CC=C2)NCCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@H](CCCCCCCCC/C=C\CCC2=CN=CC=C2)NCCCCCCCCCCCCCC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C45H67N3O2/c49-45(50)44(42-32-22-19-23-33-42)43(34-24-17-13-9-5-1-3-7-11-15-20-28-40-30-26-35-46-38-40)48-37-25-18-14-10-6-2-4-8-12-16-21-29-41-31-27-36-47-39-41/h11,15,19,22-23,26-27,30-33,35-36,38-39,43-44,48H,1-10,12-14,16-18,20-21,24-25,28-29,34,37H2,(H,49,50)/b15-11-/t43-,44+/m0/s1