(E)-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]tetradec-4-enoic acid

Systemtic Name: (E)-2-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]tetradec-4-enoic acid Openeye Name: (E)-2-[2-(4-isopropylanilino)-2-oxo-ethyl]tetradec-4-enoic acid CAS Name: (E)-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-4-tetradecenoic acid IUPAC Name: (E)-2-[2-oxo-2-(4-propan-2-ylanilino)ethyl]tetradec-4-enoic acid Traditional Name: (E)-2-(2-cumidino-2-keto-ethyl)tetradec-4-enoic acid Formula: C25H39NO3 MolecularWeight: 401.58206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CCC(CC(=O)NC1=CC=C(C=C1)C(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCC/C=C/CC(CC(=O)NC1=CC=C(C=C1)C(C)C)C(=O)O

InChI

InChI=1S/C25H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-22(25(28)29)19-24(27)26-23-17-15-21(16-18-23)20(2)3/h12-13,15-18,20,22H,4-11,14,19H2,1-3H3,(H,26,27)(H,28,29)/b13-12+