3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-ynoic acid Openeye Name: 3-[2-(6-methylenehexadecylamino)phenyl]prop-2-ynoic acid CAS Name: 3-[2-(6-methylenehexadecylamino)phenyl]-2-propynoic acid IUPAC Name: 3-[2-(6-methylidenehexadecylamino)phenyl]prop-2-ynoic acid Traditional Name: 3-[2-(6-decylhept-6-enylamino)phenyl]propiolic acid Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1C#CC(=O)O

Isomeric SMILES

CCCCCCCCCCC(=C)CCCCCNC1=CC=CC=C1C#CC(=O)O

InChI

InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-11-16-23(2)17-12-10-15-22-27-25-19-14-13-18-24(25)20-21-26(28)29/h13-14,18-19,27H,2-12,15-17,22H2,1H3,(H,28,29)