3-[4-[(1-prop-2-enylcyclododecyl)amino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[4-[(1-prop-2-enylcyclododecyl)amino]phenyl]prop-2-ynoic acid Openeye Name: 3-[4-[(1-allylcyclododecyl)amino]phenyl]prop-2-ynoic acid CAS Name: 3-[4-[(1-prop-2-enylcyclododecyl)amino]phenyl]-2-propynoic acid IUPAC Name: 3-[4-[(1-prop-2-enylcyclododecyl)amino]phenyl]prop-2-ynoic acid Traditional Name: 3-[4-[(1-allylcyclododecyl)amino]phenyl]propiolic acid Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(CCCCCCCCCCC1)NC2=CC=C(C=C2)C#CC(=O)O

Isomeric SMILES

C=CCC1(CCCCCCCCCCC1)NC2=CC=C(C=C2)C#CC(=O)O

InChI

InChI=1S/C24H33NO2/c1-2-18-24(19-10-8-6-4-3-5-7-9-11-20-24)25-22-15-12-21(13-16-22)14-17-23(26)27/h2,12-13,15-16,25H,1,3-11,18-20H2,(H,26,27)