(E)-N-[1-(dimethylamino)propyl]docos-13-enamide; phthalic acid

Systemtic Name: (E)-N-[1-(dimethylamino)propyl]docos-13-enamide; phthalic acid Openeye Name: (E)-N-[1-(dimethylamino)propyl]docos-13-enamide; phthalic acid CAS Name: (E)-N-[1-(dimethylamino)propyl]-13-docosenamide; phthalic acid IUPAC Name: (E)-N-[1-(dimethylamino)propyl]docos-13-enamide; phthalic acid Traditional Name: (E)-N-[1-(dimethylamino)propyl]docos-13-enamide; phthalic acid Formula: C35H60N2O5 MolecularWeight: 588.8613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)NC(CC)N(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NC(CC)N(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C27H54N2O.C8H6O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(30)28-26(6-2)29(3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h13-14,26H,5-12,15-25H2,1-4H3,(H,28,30);1-4H,(H,9,10)(H,11,12)/b14-13+;